AI for Materials

Google Scholar (Total Citation: 10,401, H-Index: 56):

https://scholar.google.com/citations?user=8Wt2yS0AAAAJ&hl=en

ORCID:

https://orcid.org/0000-0002-8209-0139

Web of Science ResearcherID: AAU-6585-2020

http://www.webofscience.com/wos/author/record/AAU-6585-2020

2024

199. Mohammed Al-Fahdi, Riccardo Rurali, Jianjun Hu, Christopher Wolverton, Ming Hu,* "Accelerated Discovery of Extreme Lattice Thermal Conductivity by Crystal Attention Graph Neural Network (CATGNN) Using Chemical Bonding Intuitive Descriptors", https://arxiv.org/abs/2410.16066

198. Mohammed Al-Fahdi and Ming Hu,* "High Throughput Substrate Screening for Interfacial Thermal Management of β-Ga₂O₃ by Deep Convolutional Neural Network," Journal of Applied Physics, 135, 205101 (2024). https://doi.org/10.1063/5.0201699  Editor's Pick

197. Sadman Sadeed Omee, Nihang Fu, Rongzhi Dong, Ming Hu,* and Jianjun Hu,* "Structure-based out-of-distribution (OOD) materials property prediction: A benchmark study," npj Computational Materials, 10, Article number: 144 (2024). https://doi.org/10.1038/s41524-024-01316-4

196. Yu Gong,* Zhonghua Yang, Alem Teklu, Ti Xie, Noah Kern, Andrew F. May, Michael McGuire, Christian Brennan, Er-Jia Guo, Narayanan Kuthirummal, John Cetin, Qian Zhang, Ming Hu,* and Cheng Gong* "Efficient Optical Control of Magnon Dynamics in van der Waals Ferromagnets," Ultrafast Science, 4, Article ID: 0064 (2024). https://doi.org/10.34133/ultrafastscience.0064

195. Ming Hu,* "Unleashing the Power of Artificial Intelligence in Phonon Thermal Transport: Current Challenges and Prospects", Journal of Applied Physics, 135, 170904 (2024). https://doi.org/10.1063/5.0201778  Invited Perspective, Editor's Pick

194. Mohammed Al-Fahdi, Kunpeng Yuan, Yagang Yao, Riccardo Rurali, Ming Hu,* "High-Throughput Thermoelectric Materials Screening by Deep Convolutional Neural Network with Fused Orbital Field Matrix and Composition Descriptors", Applied Physics Reviews, 11, 021402 (2024). https://doi.org/10.1063/5.0187855  Featured Article 

193. Jing Wu, E. Zhou, An Huang, Hongbin Zhang, Ming Hu, Guangzhao Qin,* "Deep-potential enabled multiscale simulation of gallium nitride devices on boron arsenide cooling substrates", Nature Communications, 15, Article number: 2540 (2024). https://doi.org/10.1038/s41467-024-46806-7

192. Joshua Ojih, Mohammed Al-Fahdi, Yagang Yao, Jianjun Hu, and Ming Hu,* "Graph Theory and Graph Neural Network Assisted High-Throughput Crystal Structure Prediction and Screening for Energy Conversion and Storage", Journal of Materials Chemistry A, 12, 8502 (2024). https://doi.org/10.1039/d3ta06190f

191. Sadman Sadeed Omee, Lai Wei, Ming Hu, Jianjun Hu,* "Crystal Structure Prediction Using Neural Network Potential and Age-Fitness Pareto Genetic Algorithm", Journal of Materials Informatics, 4, Article number: 2 (2024). https://www.oaepublish.com/articles/jmi.2023.33

2023

190. Joshua Ojih, Chen Shen, Alejandro Rodriguez, Hongbin Zhang,* Kamal Choudhary, and Ming Hu,* "High-Throughput Computational Discovery of 3218 Ultralow Thermal Conductivity and Dynamically Stable Materials by Dual Machine Learning Models", Journal of Materials Chemistry A, 11, 24169 (2023). https://doi.org/10.1039/D3TA04874H

189. Zhonghua Yang, Wenbo Ning, Alejandro Rodriguez, Lihua Lu, Junxiang Wang, Yagang Yao, Kunpeng Yuan*, and Ming Hu,* "Anti-Bonding Mediated Record Low and Comparable-to-Air Lattice Thermal Conductivity of Two Metallic Crystals", Journal of Materials Chemistry C, 11, 15657 (2023). https://doi.org/10.1039/D3TC03064D

188. Alejandro Rodriguez, Changpeng Lin, Chen Shen, Kunpeng Yuan, Mohammed Al-Fahdi, Xiaoliang Zhang, Hongbin Zhang, and Ming Hu,* "Unlocking Phonon Properties of a Large and Diverse Set of Cubic Crystals by Indirect Bottom-up Machine Learning Approach", Communications Materials, 4, Article Number: 61 (2023). https://doi.org/10.1038/s43246-023-00390-3

187. Joshua Ojih, Alejandro Rodriguez, Jianjun Hu, and Ming Hu,* "Screening Outstanding Mechanical Properties and Low Lattice Thermal Conductivity Using Global Attention Graph Neural Network", Energy and AI, 14, 100286, (2023). https://doi.org/10.1016/j.egyai.2023.100286

186. Alejandro Rodriguez, Changpeng Lin, Hongao Yang, Mohammed Al-Fahdi, Chen Shen, Kamal Choudhary, Yong Zhao, Jianjun Hu, Bingyang Cao, Hongbin Zhang, and Ming Hu,* "Million-Scale Data Integrated Deep Neural Network for Phonon Properties of Heuslers Spanning the Periodic Table", npj Computational Materials, 9, Article number: 20 (2023). https://doi.org/10.1038/s41524-023-00974-0

185. Yufei Gao, Hongzhao Fan, Yanguang Zhou,* and Ming Hu,* "Competing Heat Carriers Leading to Distinctive Cation Concentration Dependent Thermal Conductivity of Amorphous Li_xS (x = 0 ~ 2) Batteries", Advanced Functional Materials, 32, 2214501 (2023). https://doi.org/10.1002/adfm.202214501

184. Ankit Negi, Alejandro Rodriguez, Xuanyi Zhang, Andrew H. Comstock, Cong Yang, Dali Sun, Xiaoning Jiang, Divine Kumah, Ming Hu,* and Jun Liu,* "Thickness-Dependent Thermal Conductivity and Phonon Mean Free Path Distribution in Single-Crystalline Barium Titanate", Advanced Science, 10, 2301273 (2023). https://doi.org/10.1002/advs.202301273

183. Guangzhao Qin,* Yi Wei, Linfeng Yu, Jinyuan Xu, Joshua Ojih, Alejandro David Rodriguez, Huimin Wang, Zhenzhen Qin, and Ming Hu,* "Predicting Lattice Thermal Conductivity from Fundamental Material Properties Using Machine Learning Techniques", Journal of Materials Chemistry A, 11, 5801 (2023). https://doi.org/10.1039/D2TA08721A

182. Yong Zhao, Edirisuriya Siriwardane, Zhenyao Wu, Nihang Fu, Mohammed Al-Fahdi, Ming Hu,* and Jianjun Hu,* "Physics Guided Deep Learning for Generative Design of Crystal Materials with Symmetry Constraints", npj Computational Materials, 9, Article number: 38 (2023). https://doi.org/10.1038/s41524-023-00987-9

181. Guangzhao Qin,* Jianhua Xu, Huimin Wang,* Zhenzhen Qin,* and Ming Hu,* "Activated Lone-pair Electrons Lead to Low Lattice Thermal Conductivity: A Case Study of Boron Arsenide", Journal of Physical Chemistry Letters, 14, 139 (2023). https://doi.org/10.1021/acs.jpclett.2c03255

2022 

180. Kunpeng Yuan, Xiaoliang Zhang,* Zheng Chang, Dawei Tang,* and Ming Hu,* "Antibonding Induced Anharmonicity Leading to Ultralow Lattice Thermal Conductivity and Extraordinary Thermoelectric Performance in CsK₂X (X = Sb, Bi)", Journal of Materials Chemistry C, 10, 15822, (2022). https://doi.org/10.1039/D2TC03356A

179. Jie Sun, Ming Hu, Cunzhi Zhang, Ling Bai, Chenxin Zhang, and Qian Wang,* "Ultralow Thermal Conductivity of Layered Bi₂O₂Se Induced by Twisting", Advanced Functional Materials, 32, 2209000 (2022). https://doi.org/10.1002/adfm.202209000

178. Joshua Ojih, Uche Onyekpe, Alejandro Rodriguez, Jianjun Hu, Chengxiao Peng,* and Ming Hu,* "Machine Learning Accelerated Discovery of Promising Thermal Energy Storage Materials with High Heat Capacity", ACS Applied Materials & Interfaces, 14, 43277 (2022). https://doi.org/10.1021/acsami.2c11350

177. Zheng Chang, Jiongzhi Zheng, Yuhang Jing, Weiqi Li, Kunpeng Yuan, Jing Ma, Yufei Gao, Xiaoliang Zhang,* Ming Hu,* Jianqun Yang,* and Dawei Tang,* "Novel Insights into Lattice Thermal Transport in Nanocrystalline Mg₃Sb₂ from First Principles: The Crucial Role of Higher-Order Phonon Scattering", Physical Chemistry Chemical Physics, 24, 20891 (2022). https://doi.org/10.1039/D2CP01967A

176. Guangzhao Qin,* An Huang, Yinqiao Liu, Huimin Wang, Zhenzhen Qin,* Xue Jiang, Jijun Zhao, Jianjun Hu, and Ming Hu,* "High-Throughput Computational Evaluation of Lattice Thermal Conductivity Using an Optimized Slack Model", Materials Advances, 3, 6826 (2022). https://doi.org/10.1039/D2MA00694D

175. Guangzhao Qin,* Jianzhou Lin, Huimin Wang, Jianjun Hu, Zhenzhen Qin,* and Ming Hu,* "Anomalous Thermal Transport Behavior in Graphene-Like Carbon Nitride (C₃N)", Journal of Materials Chemistry C, 10, 12080 (2022). https://doi.org/10.1039/D2TC02425J

174. Zhonghua Yang, Kunpeng Yuan, Nan Li, Xiaoliang Zhang,* and Ming Hu,* "Giant Manipulation of Phonon Hydrodynamics in Ferroelectric Bilayer Born Nitride at Room Temperature and Beyond", ACS Applied Energy Materials, 5, 8781 (2022). https://doi.org/10.1021/acsaem.2c01274

173. Nghia Nguyen, Steph-Yves Louis, Lai Wei, Kamal Choudhary, Ming Hu,* and Jianjun Hu,* "Predicting Lattice Vibrational Frequencies Using Deep Graph Neural networks", ACS Omega, 7, 26641 (2022). https://doi.org/10.1021/acsomega.2c02765

172. E Zhou, Donghai Wei, Jing Wu, Guangzhao Qin,* and Ming Hu,* "Electrically Driven Robust Tuning of Lattice Thermal Conductivity", Physical Chemistry Chemical Physics, 24, 17479 (2022). https://doi.org/10.1039/D2CP01117D 2022 PCCP HOT Articles

171. Yu Gong,* Xiangdong Bi,* Nikki Chen,* Marcello Forconi,* Narayanan Kuthirummal, Alem Teklu, Bo Gao, Jacob Koenemann, Nico Harris, Christian Brennan, Marisa Thomas, Taylor Barnes, and Ming Hu,* "Significant Enhancement of Two-Photon Excited Fluorescence in Water Soluble Triphenylamine-Based All-Organic Compounds", Journal of Physical Chemistry B, 126, 5513 (2022). https://doi.org/10.1021/acs.jpcb.2c03514

170. Joshua Ojih, Mohammed Al-Fahdi, Alejandro David Rodriguez, Kamal Choudhary, and Ming Hu,* "Efficiently Searching Extreme Mechanical Properties via Boundless Objective-Free Exploration and Minimal First-Principles Calculations", npj Computational Materials, 8, Article number: 143 (2022). https://doi.org/10.1038/s41524-022-00836-1

169. Zheng Chang, Jing Ma, Kunpeng Yuan, Jiongzhi Zheng, Bin Wei, Mohammed Al-Fahdi, Yufei Gao, Xiaoliang Zhang,* Hezhu Shao,* Ming Hu,* and Dawei Tang,* "Zintl Phase Compounds Mg₃Sb_2-xBi_x (x=0, 1, and 2) Monolayers: Electronic, Phonon and Thermoelectric Properties from ab initio Calculations", Frontiers in Mechanical Engineering, 8, 876655 (2022). https://doi.org/10.3389/fmech.2022.876655

168. Zheng Chang, Kunpeng Yuan, Jiale Li, Zhehao Sun, Jiongzhi Zheng, Mohammed Al-Fahdi, Yufei Gao, Bin Wei,*, Xiaoliang Zhang,* Ming Hu,* and Dawei Tang,* "Anomalous Thermal Conductivity Induced by High Dispersive Optical Phonons in Rubidium and Cesium Halides", ES Energy & Environment, 16, 30 (2022). https://dx.doi.org/10.30919/esee8c653

167. Jie Sun, Cunzhi Zhang, Zhonghua Yang, Yiheng Shen, Ming Hu,* and Qian Wang,* "Four-Phonon Scattering Effect and Two-Channel Thermal Transport in Two-Dimensional Paraelectric SnSe", ACS Applied Materials & Interfaces, 14, 11493 (2022). https://doi.org/10.1021/acsami.1c24488

166. Fancy Qian Wang,* Kamal Choudhary, Yu Liu, Jianjun Hu, Ming Hu,* "Large scale dataset of real space electronic charge density of cubic inorganic materials from density functional theory (DFT) calculations", Scientific Data, 9, Article number: 59 (2022). https://doi.org/10.1038/s41597-022-01158-z

165. Yu Gong,* Ming Hu,* Nico Harris, Zhonghua Yang, Ti Xie, Alem Abraha Teklu, Narayanan Kuthirummal, Jacob koenemann, Xianghan Xu, Sang-Wook Cheong, Will McLoud, and Cheng Gong,* "Strong Laser Polarization Control of Coherent Phonon Excitation in van der Waals Material Fe₃GeTe₂", npj 2D Materials and Applications, 6, Article number: 9 (2022). https://doi.org/10.1038/s41699-021-00275-4

2021

164. Mohammed Al-Fahdi, Tao Ouyang,* and Ming Hu,* "High-Throughput Computation of Novel Ternary B-C-N Structures and Carbon Allotropes with Electronic-Level Insights into Superhard Materials from Machine Learning", Journal of Materials Chemistry A, 9, 27596 (2021). https://doi.org/10.1039/D1TA07553E

163. Alejandro Rodriguez,* Stephen Lam, and Ming Hu, "Thermodynamic and Transport Properties of LiF and FLiBe Molten Salts with Deep Learning Potentials", ACS Applied Materials & Interfaces, 13, 55367 (2021). https://doi.org/10.1021/acsami.1c17942

162. Pei Zhang, Tao Ouyang,* Chao Tang,* Chaoyu He, Jin Li, Chunxiao Zhang, Ming Hu,* and Jianxin Zhong, "The Intrinsic Thermal Transport Properties of the Biphenylene Network and the Influence of Hydrogenation: a First-Principles Study", Journal of Materials Chemistry C, 9, 16945 (2021). Inside Front Cover. https://doi.org/10.1039/D1TC04154A

161. Mohammed Al-Fahdi, Alejandro Rodriguez, Tao Ouyang,* and Ming Hu,* "High-Throughput Computation of New Carbon Allotropes with Diverse Hybridization and Ultrahigh Hardness", Crystals, 11, 783 (2021). Featured Paper. https://doi.org/10.3390/cryst11070783

160. Mohammed Al-Fahdi, Xiaoliang Zhang, and Ming Hu,* "Phonon Transport Anomaly in Metavalent Bonded Materials: Contradictory to the Conventional Theory", Journal of Materials Science, 56, 18534 (2021). https://doi.org/10.1007/s10853-021-06540-7

159. Alejandro Rodriguez, Karl-Philipp Schlichting, Dimos Poulikakos,* and Ming Hu,* "Ab-initio Energetic Barriers of Gas Permeation Across Nanoporous Graphene", ACS Applied Materials & Interfaces, 13, 39701 (2021). https://doi.org/10.1021/acsami.1c09229

158. Lu Liu, Chengxiao Peng,* Shujuan Jiang, Zhenzhen Feng, Guangbiao Zhang, Chao Wang, Peiyu Zhang,* and Ming Hu, "The Lattice Thermal Conductivity in Monolayers Group-VA: from Elements to Binary Compounds", Materials Research Express, 8, 075007 (2021). https://doi.org/10.1088/2053-1591/ac0eba

157. Yong Zhao, Mohammed Al-Fahdi, Ming Hu,* Edirisuriya M. D. Siriwardane, Yuqi Song, Alireza Nasiri, and Jianjun Hu*, "High-Throughput Discovery of Novel Cubic Crystal Materials Using Deep Generative Neural Networks", Advanced Science, 8, 2100566 (2021). https://doi.org/10.1002/advs.202100566

156. Yandong Sun, Yanguang Zhou, Ramya Gurunathan, Jin-Yu Zhang, Ming Hu, Wei Liu,* Ben Xu,* and G. Jeffrey Snyder,* "Phonon Scattering in the Complex Strain Field of a Dislocation in PbTe", Journal of Materials Chemistry C, 9, 8506 (2021). Featured in Back Cover. https://doi.org/10.1039/D1TC00902H

155. Huake Liu,* Guangzhao Qin, and Ming Hu,* "Uniform Strain Dependent Thermal Conductivity of Pentagonal and Hexagonal Silicene", Frontiers in Materials, 8, 683503 (2021). http://doi.org/10.3389/fmats.2021.683503

154. Loay Elalfy, Denis Music, and Ming Hu,* "Metavalent Bonding Induced Abnormal Phonon Transport in Diamondlike Structures: Beyond Conventional Theory", Physical Review B, 103, 075203 (2021). http://doi.org/10.1103/PhysRevB.103.075203

153. Yu Gong,* Gao-Lei Hou,* Xiangdong Bi,* Narayanan Kuthirummal, Alem Abraha Teklu, Jacob Koenemann, Nico Harris, Peng Wei, Krystal Santos Devera, Ming Hu,* "Enhanced Two-photon Absorption in Two Triphenylamine Based All-organic Compounds", Journal of Physical Chemistry A, 125, 1870 (2021). https://dx.doi.org/10.1021/acs.jpca.0c10567

152. Yinqiao Liu, Xue Jiang,*, Jijun Zhao, and Ming Hu,* "Electronic Charge Density as a Fast Approach for Predicting Li-ion Migration Pathways in Superionic Conductors with First-Principles Level Precision", Computational Materials Science, 192, 110380 (2021). https://doi.org/10.1016/j.commatsci.2021.110380

151. Yandong Sun, Yanguang Zhou, Ming Hu, Gerald Jeffrey Snyder,* Ben Xu,* Wei Liu,* "Probing the Phonon Mean Free Paths in Dislocation Core by Molecular Dynamics Simulation", Journal of Applied Physics, 129, 055103 (2021). Editor's Pick https://doi.org/10.1063/5.0038265

150. Huimin Wang, Linfeng Yu, Jinyuan Xu, Donghai Wei, Guangzhao Qin,* Yagang Yao,* and Ming Hu,* "Intrinsically Low Lattice Thermal Conductivity of Monolayer Hexagonal Aluminum Nitride (h-AlN) from First-Principles: A Comparative Study with Graphene", International Journal of Thermal Sciences, 162, 106772 (2021). https://doi.org/10.1016/j.ijthermalsci.2020.106772

149. Ming Hu* and Zhonghua Yang, "Perspective on Multi-scale Simulation of Thermal Transport in Solids and Interfaces", Physical Chemistry Chemical Physics, 23, 1785 (2021). Invited Perspective (Featured in Back Cover) http://doi.org/10.1039/d0cp03372c

148. Christian Loftis, Kunpeng Yuan, Yong Zhao, Ming Hu,* Jianjun Hu,* "Lattice Thermal Conductivity Prediction using Symbolic Regression and Machine Learning", Journal of Physical Chemistry A, 125, 435 (2021). https://dx.doi.org/10.1021/acs.jpca.0c08103

147. Huimin Wang, Donghai Wei, Junfei Duan, Zhenzhen Qin, Guangzhao Qin,* Yagang Yao,* and Ming Hu,* "The Exceptionally High Thermal Conductivity after ‘Alloying’ Two-Dimensional Gallium Nitride (GaN) and Aluminum Nitride (AlN)", Nanotechnology, 32, 135401 (2021). https://doi.org/10.1088/1361-6528/abd20c
 

2020

146. Zhonghua Yang, Kunpeng Yuan, Jin Meng, Xiaoliang Zhang, Dawei Tang, and Ming Hu,* "Why Thermal Conductivity of CaO is Lower than that of CaS? A Study from the Perspective of Phonon Splitting of Optical Mode", Nanotechnology, 32, 025709 (2020).

145. Zhonghua Yang, Kunpeng Yuan, Jin Meng, and Ming Hu,* "Electric Field Tuned Anisotropic to Isotropic Thermal Transport Transition in Monolayer Borophene Without Alternating Atomic Structures", Nanoscale, 12, 19178 (2020).

144. Gyanendra B. Ayer, Vladislav V. Klepov, Mark D. Smith, Ming Hu, Zhonghua Yang, Corey R. Martin, Gregory Morrison, and Hans-Conrad zur Loye,* "BaWO2F4: a Mixed Anion X-ray Scintillator with Excellent Photoluminescence Quantum Efficiency", Dalton Transactions, 49, 10734, (2020).

143. Alejandro Rodriguez, Yinqiao Liu, and Ming Hu,* "Spatial Density Neural Network Force Fields with First-Principles Level Accuracy and Application to Thermal Transport", Physical Review B, 102, 035203 (2020).

142. Yong Zhao, Kunpeng Yuan, Liu, Yinqiao, Steph-Yves Louis, Ming Hu,* and Jianjun Hu,* "Predicting Elastic Properties of Materials from Electronic Charge Density Using 3D Deep Convolutional Neural Networks", The Journal of Physical Chemistry C, 124, 17262 (2020). Cover Page

141. Yabo Dan, Yong Zhao, Xiang Li, Shaobo Li, Ming Hu, and Jianjun Hu,* "Generative Adversarial Networks (GAN) Based Efficient Sampling of Chemical Composition Space for Inverse Design of Inorganic Materials", npj Computational Materials, 6, Article number: 84 (2020). media report: https://www.sciencedaily.com/releases/2020/08/200825110638.htm

140. Yuqi Song, Joseph Lindsay, Yong Zhao, Alireza Nasiri, Steph-Yves Louis, Jie Ling, Ming Hu, and Jianjun Hu,* "Machine Learning Based Prediction of Noncentrosymmetric Crystal Materials", Computational Materials Science, 183, 109792 (2020).

139. Jun Gao, Yinqiao Liu, Yuqing Meng, Ming Hu, and Kyle S. Brinkman,* "F- Based Anion Doping: A New Strategy for Improving the Performance of Protonic Ceramic Conductors of the Form BaZrO₃", ChemElectroChem, 7, 2242 (2020). Cover Feature

138. Jie Ling,* Hongxia Zhang, Kunpeng Yuan, Dawanya Burgess, Jianjun Hu, and Ming Hu, "Hydrothermal Syntheses and Crystal Structures of Molybdenum Tellurites", Journal of Solid State Chemistry, 287, 121317 (2020).

137. Jia-Yue Yang,* Wenjie Zhang, Chengying Xu, Jun Liu, Linhua Liu, and Ming Hu,* "Strong Electron-Phonon Coupling Induced Anomalous Phonon Transport in Ultrahigh Temperature Ceramics ZrB₂ and TiB₂", International Journal of Heat and Mass Transfer, 152, 119481 (2020).

136. Guangzhao Qin,* Huimin Wang, Zhenzhen Qin, Lichuan Zhang, and Ming Hu,* "Giant effect of spin-lattice coupling on the thermal transport in two-dimensional ferromagnetic CrI3", Journal of Materials Chemistry C, 8, 3520 (2020).

135. Yandong Sun, Yanguang Zhou, Jian Han, Ming Hu,* Ben Xu,* and Wei Liu,* "Molecular Dynamics Simulations of the Effect of Dislocations on the Thermal Conductivity of Iron", Journal of Applied Physics, 127, 045106 (2020).

134. Dao-Sheng Tang, Guang-Zhao Qin, Ming Hu, and Bing-Yang Cao,* "Thermal Transport Properties of GaN with Biaxial Strain and Electron-Phonon Coupling", Journal of Applied Physics, 127, 035102 (2020). Editor's Pick

133. Zheng Xiong, Yuxin Cui, Zhonghao Liu, Yong Zhao, Ming Hu, and Jianjun Hu,* "Evaluating Explorative Prediction Power of Machine Learning Algorithms for Materials Discovery using K-fold Forward Cross-Validation", Computational Materials Science, 171, 109203 (2020).

2019

132. Tianjun Liu, Sheng-Ying Yue, Sinclair Ratnasingham, Thibault Degousée, Pritesh Varsini, Joe Briscoe, Martyn A. McLachlan, Ming Hu, and Oliver Fenwick,* "Unusual Thermal Boundary Resistance in Halide Perovskites: A Way To Tune Ultralow Thermal Conductivity for Thermoelectrics", ACS Applied Materials & Interfaces, 11, 47507 (2019).

131. Farzad Shirazian, Ming Hu, and Roger A. Sauer. "On the Development of Continuum Material Models for 2D Materials from Density Functional Theory Data", Proceedings in Applied Mathematics & Mechanics, DOI: 10.1002/pamm.201900486, (2019).

130. Loay Elalfy, Denis Music, and Ming Hu,* "First Principles Investigation of Anomalous Pressure Dependent Thermal Conductivity of Chalcopyrites", Materials, 12, 3491 (2019).

129. Li-Chuan Zhang, Lizhi Zhang, Guangzhao Qin, Qing-Rong Zheng, Ming Hu,* Qing-Bo Yan,* and Gang Su,* "Two-dimensional Magnetic Metal–Organic Frameworks with the Shastry-Sutherland Lattice", Chemical Science, 10, 10381 (2019).

128. Yandong Sun, Yanguang Zhou, Jian Han, Wei Liu, Cewen Nan, Yuanhua Lin, Ming Hu,* and Ben Xu,* "Strong Phonon Localization in PbTe with Dislocations and Large Deviation to Matthiessen’s Rule", npj Computational Materials, 5, Article number: 97 (2019).

127. Reza Ghaffari, Farzad Shirazian, Ming Hu, and Roger A. Sauer, "A Nonlinear Hyperelasticity Model for Single Layer Blue Phosphorus Based on Ab-Initio Calculations", Proceedings of The Royal Society A, 475, 20190149 (2019).
126. Huimin Wang, Guangzhao Qin, Jiayue Yang, Zhenzhen Qin, Yagang Yao, Qiang Wang,* and Ming Hu,* "First-principle Calculations of Electronic, Optical and Thermal Transport Properties of Group III-VI Monolayer MX (M=Ga, In; X=S, Se)", Journal of Applied Physics, 125, 245104 (2019).

125. Jia-Yue Yang, Wenjie Zhang, and Ming Hu,* "Decoupling Thermal and Electrical Transport in α-MgAgSb with Synergic Pressure and Doping Strategy", Journal of Applied Physics, 125, 205105 (2019).

124. Guangzhao Qin, Kuan-Rong Hao, Qing-Bo Yan,* Ming Hu,* and Gang Su,* "Exploring T-carbon for Energy Applications", Nanoscale, 11, 5798 (2019).
123. Fancy Qian Wang, Ming Hu,* and Qian Wang,* "Ultrahigh Thermal Conductivity of Carbon Allotropes with Correlations to the Scaled Pugh Ratio", Journal of Materials Chemistry A, 7, 6259 (2019).

122. Sheng-Ying Yue* and Ming Hu,* "Insight of the Thermal Conductivity of ε-iron at Earth's Core Conditions from the Newly Developed Direct ab initio Methodology", Journal of Applied Physics, 125, 045102 (2019). Feature Article

121. Tao Ouyang,* Qingyi Liu, Mingxing Chen, Chao Tang, Jin Li, Chunxiao Zhang, Chaoyu He, Hua Bao,* Jianxin Zhong, and Ming Hu,* "Doping Induced Abnormal Contraction and Significant Reduction of Lattice Thermal Conductivity of Open Framework Si₂₄", ES Energy & Environment, 3, 88 (2019).

120. Jun Zhang, Chaowei Li, Cuiping Yu, Xiaona Wang, Qiulong Li, Huifen Lu, Qichong Zhang, Jingxin Zhao, Songfeng E, Ming Hu, Yagang Yao,* "Large Improvement of Thermal Transport and Mechanical Performance of Polyvinyl Alcohol Composites Based on Interface Enhanced by SiO₂ Nanoparticle- Modified-Hexagonal Boron Nitride", Composites Science and Technology, 169, 167 (2019).

119. Yufei Gao,* Xiaoliang Zhang,* Dawei Tang, and Ming Hu,* "Unexpected Anisotropy of (14,14,14)-Graphyne: a Comprehensive Study on the Thermal Transport Properties of Graphyne Based Nanomaterials", Carbon, 143, 189 (2019).

2018

118. Yanguang Zhou,* Shiyun Xiong,* Xiaoliang Zhang, Sebastian Volz,* and Ming Hu,* "Thermal Transport Crossover from Crystalline to Partial-Crystalline Partial-Liquid State", Nature Communications, 9, 4712 (2018).

117. Pei Zhang, Tao Ouyang,* Chao Tang,* Chaoyu He, Jin Li, Chunxiao Zhang, Ming Hu, and Jianxin Zhong, "Thermoelectric Properties of Four Typical Silicon Allotropes", Modelling and Simulation in Materials Science and Engineering, 26, 085006 (2018).

116. Sheng-Ying Yue, Long Cheng, Bolin Liao,* and Ming Hu,* "Electron-Phonon Interaction and Superconductivity in the High-Pressure cI16 Phase of Lithium from First-Principles", Physical Chemistry Chemical Physics, 20, 27125 (2018).
115. Kunpeng Yuan, Xiaoliang Zhang,* Dawei Tang,* and Ming Hu,* "Anomalous Pressure Effect on the Thermal Conductivity of ZnO, GaN, and AlN from First-Principles Calculations", Physical Review B, 98, 144303 (2018).
114. Biyao Wu, Yanguang Zhou, and Ming Hu,* "Two-Channel Thermal Transport in Ordered–Disordered Superionic Ag2Te and its Traditionally Contradictory Enhancement by Nanotwin Boundary", Journal of Physical Chemistry Letters, 9, 5704 (2018).

113. Yufei Gao, Yanguang Zhou, and Ming Hu,* "Enormous Suppression of Phonon Transport in Silicon Nanowires with Five-Fold Twin Boundary", Journal of Materials Chemistry A, 6, 18533 (2018).

112. Jia-Yue Yang and Ming Hu,* "Strong Electron-Phonon Interaction Retarding Phonon Transport in Superconducting Hydrogen Sulfide (H3S) at High Pressures", Physical Chemistry Chemical Physics, 20, 24222 (2018).

111. Xin He, Zehui Zhang, Chenhui Zhang, Yang Yang, Ming Hu, Weikun Ge, and Xixiang Zhang,* "Exploration of Exciton Behavior in Atomically Thin WS2 Layers by Ionic Gating", Applied Physics Letters, 113, 013104 (2018).

110. Chengxiao Peng, Guangzhao Qin, Lichuan Zhang, Guangbiao Zhang, Chao Wang, Yuli Yan, Yuanxu Wang,* and Ming Hu,* "Dependence of phonon transport properties with stacking thickness in layered ZnO", Journal of Physics D: Applied Physics, 51, 315303 (2018).

109. Guangzhao Qin, Zhenzhen Qin, Huimin Wang, and Ming Hu,* "Lone-Pair Electrons Induced Anomalous Enhancement of Thermal Transport in Strained Planar Two-Dimensional Materials", Nano Energy, 50, 425 (2018).

108. Chengxiao Peng, Guangbiao Zhang, Chao Wang, Yuli Yan, Haiwu Zheng, Yuanxu Wang,* and Ming Hu,* "Improvement of Thermoelectricity through Magnetic Interactions in Layered Cr₂Ge₂Te₆", Physica Status Solidi (RRL) - Rapid Research Letters, 1800172 (2018).

107. Zhenzhen Qin, Guangzhao Qin,* and Ming Hu,* "Origin of Anisotropic Negative Poisson’s Ratio in Graphene", Nanoscale, 10, 10365 (2018).

106. Guangzhao Qin, Zhenzhen Qin, Huimin Wang, and Ming Hu,* "On the Diversity in the Thermal Transport Properties of Graphene: A First-Principles-Benchmark Study Testing Different Exchange-Correlation Functionals", Computational Materials Science, 151, 153 (2018).

105. Huimin Wang, Guangzhao Qin, Zhenzhen Qin, Guojian Li, Qiang Wang,* and Ming Hu,* "Lone-pair Electrons do not Necessarily Lead to Low Lattice Thermal Conductivity: an Exception of Two-dimensional Penta-CN₂", Journal of Physical Chemistry Letters, 9, 2474 (2018).

104. Zhi Liang* and Ming Hu,* "Tutorial: Determination of Thermal Boundary Resistance by Molecular Dynamics Simulations", Journal of Applied Physics, 123, 191101 (2018).

103. Yufei Gao, Yanguang Zhou, Xiaoliang Zhang,* and Ming Hu,* "Extremely Low Thermal Conductivity of Polycrystalline Silicene", Journal of Physical Chemistry C, 122, 9220 (2018).

102. Cuiping Yu, Wenbin Gong, Wei Tian,* Qichong Zhang, Yancui Xu, Ziyin Lin, Ming Hu, Xiaodong Fan, and Yagang Yao,* "Hot-pressing Induced Alignment of Boron Nitride in Polyurethane for Composite Films with Thermal Conductivity over 50 Wm⁻¹ K⁻¹", Composites Science and Technology, 160, 199 (2018).

101. Yupeng Shen, Fancy Qian Wang, Jie Liu, Yaguang Guo, Xiaoyin Li, Guangzhao Qin, Ming Hu, and Qian Wang,* "A C20 fullerene-based sheet with ultrahigh thermal conductivity", Nanoscale, 10, 6099 (2018).

100. Yang Han, Jia-Yue Yang, and Ming Hu,* "Unusual Strain Response of Thermal Transport in Dimerized Three-Dimensional Graphene", Nanoscale, 10, 5229 (2018).

99. Yanguang Zhou,* Jia-Yue Yang, Long Cheng, and Ming Hu,* "Strong Anharmonic Phonon Scattering Induced Giant Reduction of Thermal Conductivity in PbTe Nanotwin Boundary", Physical Review B, 97, 085304 (2018).

98. Yanguang Zhou, Zheyong Fan, Guangzhao Qin, Jia-Yue Yang, Tao Ouyang, and Ming Hu,* "Methodology Perspective of Computing Thermal Transport in Low-dimensional Materials and Nanostructures: the Old and the New", ACS Omega, 3, 3278 (2018). Invited Perspective

97.Xufei Wu, Vikas Varshney, Jonghoon Jay Lee, Guangzhao Qin, Ming Hu, Ajit Roy, and Tengfei Luo,* "Bond Saturation Significantly Enhances Thermal Energy Transport in Two-Dimensional Pentagonal Materials", Nano Energy, 45, 1 (2018).

96. Guangzhao Qin and Ming Hu,* "Accelerating Evaluation of Converged Lattice Thermal Conductivity", NPJ Computational Materials, 4, Article number: 3 (2018).

2017

95. Jia-Yue Yang, Long Cheng, and Ming Hu,* "Unravelling the Progressive Role of Rattlers in Thermoelectric Clathrate and Strategies for Performance Improvement: Concurrently Enhancing Electronic Transport and Blocking Phononic Transport", Applied Physics Letters, 111, 242101 (2017).

94. Guangzhao Qin and Ming Hu,* "Thermal Transport in Phosphorene", Small, 14, 1702465 (2018). Invited Review

93. Jian Han, Ben Xu,* Ming Hu, Y.-H. Lin, and W. Liu, "Analytical Study on the Size Effect of Phonon Spectral Energy Density Resolution", Computational Materials Science, 132, 6 (2017).

92. Huimin Wang, Guangzhao Qin, Guojian Li, Qiang Wang,* and Ming Hu,* "Unconventional Thermal Transport Enhancement with Large Atom Mass: a Comparative Study of Two-dimensional Transition Dichalcogenides", 2D Materials, 5, 015022 (2018).

91. Cheng Shao, Qingyuan Rong, Ming Hu, and Hua Bao,* "Probing the Phonon Surface Interaction by Wave Packet Simulation: Effect of Roughness and Morphology", Journal of Applied Physics, 122, 155104 (2017).

90. Benhu Zhou,* Yufei Gao, Benliang Zhou, Yagang Yao, Guanghui Zhou,* and Ming Hu,* "Enhanced thermoelectric properties of the AGNR-GYNR heterojunctions", Physics Letters A, 381, 3766 (2017).

89. Yufei Gao, Xiaoliang Zhang, Yanguang Zhou and Ming Hu,* "Giant Reduction in Thermal Conductivity of Extended Type-I Silicon Clathrates and Prominent Thermal Effect of 6d Guest Wyckoff Positions", Journal of Materials Chemistry C, 5, 10578 (2017).

88. Jun Zhang, Xiaona Wang, Cuiping Yu, Qiulong Li, Zhuo Li,* Chaowei Li, Huifen Lu, Qichong Zhang, Jingxin Zhao, Ming Hu and Yagang Yao,* "A Facile Method to Prepare Flexible Boron Nitride/poly(vinyl alcohol) Composites with Enhanced Thermal Conductivity", Composites Science and Technology, 149, 41 (2017).

87. Guangzhao Qin and Ming Hu,* "Thermal Transport Properties of Monolayer Phosphorene: a Mini-review of Theoretical Studies", Frontiers in Energy, 12, 87 (2018).

86. Yanguang Zhou,* Xiaojing Gong, Ben Xu and Ming Hu,* "First-Principles and Molecular Dynamics Study of Thermoelectric Transport Properties of N-type Silicon-based Superlattice-Nanocrystalline Heterostructures", Journal of Applied Physics, 122, 085105 (2017).

85. Jia-Yue Yang and Ming Hu,* "Temperature Induced Large Broadening and Blueshift in the Electronic Band Structure and Optical Absorption of Methylammonium Lead Iodide Perovskite", Journal of Physical Chemistry Letters, 8, 3720 (2017).

84. Huifen Lu, Jun Zhang, Jie Luo, Wenbin Gong, Chaowei Li, Qiulong Li, Kai Zhang, Ming Hu, Yagang Yao,* "Enhanced Thermal Conductivity of Free-Standing 3D Hierarchical Carbon Nanotube-Graphene Hybrid Paper", Composites Part A, 102, 1 (2017).

83. Benhu Zhou,* Benliang Zhou, Yagang Yao, Guanghui Zhou,* and Ming Hu,* "Spin-dependent Seebeck Effects in a Graphene Superlattice p-n Junction with Different Shapes", Journal of Physics: Condensed Matter, 29, 405303 (2017).

82. Long Cheng, Qing-Bo Yan,* and Ming Hu,* "Role of Phonon-phonon and Electron-phonon Scattering in Thermal Transport in PdCoO2", Physical Chemistry Chemical Physics, 19, 21714 (2017).

81. Yang Han, Yanguang Zhou, Guangzhao Qin, Jinming Dong, Douglas S. Galvao, and Ming Hu,* “Unprecedented Mechanical Response of the Lattice Thermal Conductivity of Auxetic Carbon Crystals”, Carbon, 122, 374 (2017).

80. Yanguang Zhou, Xiaojing Gong, Ben Xu, and Ming Hu,* “Decouple Electronic and Phononic Transport in Nanotwinned Structure: A New Strategy for Enhancing the Figure-of-merit of Thermoelectrics”, Nanoscale, 9, 9987 (2017).

79. Guangzhao Qin, Zhenzhen Qin, Sheng-Ying Yue, Qing-Bo Yan, and Ming Hu,* “External Electric Field Driving Ultra-low Thermal Conductivity of Silicene”, Nanoscale, 9, 7227 (2017).

78. Guangzhao Qin, Zhenzhen Qin, Huimin Wang, and Ming Hu,* “Anomalously Temperature-dependent Thermal Conductivity of Monolayer GaN with Large Deviations from the Traditional 1/T Law”, Physical Review B, 95, 195416 (2017).

77. Sheng-Ying Yue, Xiaoliang Zhang, Guangzhao Qin, Simon R. Phillpot,* and Ming Hu,* “A Metric for Strong Intrinsic Fourth-Order Phonon Anharmonicity”, Physical Review B, 95, 195203 (2017).

76. Hui-Min Wang, Guangzhao Qin, Guojian Li, Qiang Wang,* and Ming Hu,* “Low Thermal Conductivity of Monolayer ZnO and its Anomalous Temperature Dependence”, Physical Chemistry Chemical Physics, 19, 12882 (2017).

75. Yanguang Zhou and Ming Hu,* “Full Quantification of Frequency Dependent Interfacial Thermal Conductance Contributed by Two- and Three-phonon Scattering Process from Non-Equilibrium Molecular Dynamics Simulation”, Physical Review B, 95, 115313 (2017).

74. Zhenzhen Qin, Guangzhao Qin, Xu Zuo,* Zhihua Xiong,* and Ming Hu,* “Orbitally Driven Low Thermal Conductivity of Monolayer Gallium Nitride (GaN) with Planar Honeycomb Structure: a Comparative Study”, Nanoscale, 9, 4295 (2017).

73. Sheng-Ying Yue, Guangzhao Qin, Xiaoliang Zhang, Xianlei Sheng, Gang Su,* and Ming Hu,* "Thermal Transport in Novel Carbon Allotropes with sp² or sp³ Hybridization: an Ab Initio Study", Physical Review B, 95, 085207 (2017).

72. Yanguang Zhou, Xiaoliang Zhang, and Ming Hu,* "Nonmonotonic Diameter Dependence of Thermal Conductivity of Extremely Thin Si Nanowires: Competition between Hydrodynamic Phonon Flow and Boundary Scattering", Nano Letters, 17, 1269 (2017).

71. Huachao Yang, Xiaoliang Zhang, Jinyuan Yang, Zheng Bo,* Ming Hu,* Jianhua Yan, and Kefa Cen, "Molecular Origin of Electric Double-Layer Capacitors at Multilayer Graphene Edges", Journal of Physical Chemistry Letters, 8, 153 (2017).

70. Yanguang Zhou* and Ming Hu,* "Mechanical Behaviors of Nanocrystalline Cu/SiC Composites: an Atomistic Investigation", Computational Materials Science, 129, 129 (2017).

69. Tao Ouyang,* Huaping Xiao, Chao Tang, Xiaoliang Zhang, Ming Hu,* and Jianxin Zhong, "First-principles Study of Thermal Transport in Nitrogenated Holey Graphene", Nanotechnology, 28, 045709 (2017).

2016

68. Jia-Yue Yang, Sheng-Ying Yue, and Ming Hu,* "Bidirectional Effect of Magnetic Field on Electronic Thermal Transport of Metals from All-Electron First-Principles Calculations", Physical Review B, 94, 235153 (2016).

67. Jia-Yue Yang, Guangzhao Qin, and Ming Hu,* "Nontrivial Contribution of Fröhlich Electron-Phonon Interaction to Lattice Thermal Conductivity of Wurtzite GaN", Applied Physics Letters, 109, 242103 (2016).

66. Guangzhao Qin, Xiaoliang Zhang, Sheng-Ying Yue, Zhenzhen Qin, Huimin Wang, Yang Han, and Ming Hu,* "Resonant Bonding Driven Giant Phonon Anharmonicity and Low Thermal Conductivity of Phosphorene", Physical Review B, 94, 165445 (2016).

65. Xiaoliang Zhang, Xiaojing Gong, Yanguang Zhou, and Ming Hu,* "Tailoring Thermal Conductivity of AlN Films by Periodically Aligned Surface Nano-grooves", Applied Physics Letters, 109, 133107 (2016).

64. Sheng-Ying Yue, Xiaoliang Zhang, Guangzhao Qin, Jiayue Yang, and Ming Hu,* "Insight into the Collective Vibrational Modes Driving Ultra-low Thermal Conductivity of Perovskite Solar Cells", Physical Review B, 94, 115427 (2016).

63. Yanguang Zhou and Ming Hu,* "Record Low Thermal Conductivity of Polycrystalline Si Nanowire: Breaking the Casimir Limit by Severe Suppression of Propagons", Nano Letters, 16, 6178 (2016). Media report: http://phys.org/news/2016-10-thermoelectric-silicon-material-record-low-thermal.html

62. Ying Pan, Ye Tao, Guangzhao Qin, Yuriy Fedoryshyn, Shyamprasad N. Raja, Ming Hu, Christian L. Degen, and Dimos Poulikakos,* "Surface Chemical Tuning of Phonon and Electron Transport in Free-Standing Silicon Nanowire Arrays", Nano Letters, 16, 6364 (2016).

61. Sheng-Ying Yue, Xiaoliang Zhang, Stephen Stackhouse, Guangzhao Qin, Edoardo Di Napoli, and Ming Hu,* "Methodology for Determining the Electronic Thermal Conductivity of Metals via Direct Non-Equilibrium Ab Initio Molecular Dynamics", Physical Review B, 94, 075149 (2016).

60. Yang Han, Jinming Dong, Guangzhao Qin, and Ming Hu,* "Phonon Transport in Ground State of Two-dimensional Silicon and Germanium", RSC Advances, 6, 69956 (2016).

59. Guo Hong, Yang Han, Thomas M. Schutzius, Yuming Wang, Ying Pan, Ming Hu, Jiansheng Jie, Chander S. Sharma, Ulrich Müller, and Dimos Poulikakos,* "On the Mechanism of Hydrophilicity of Graphene", Nano Letters, 16, 4447 (2016).

58. Huake Liu, Guangzhao Qin, Yuan Lin, and Ming Hu,* "Disparate Strain Dependent Thermal Conductivity of Two-dimensional Penta-Structures", Nano Letters, 16, 3831 (2016).

57. Tao Ouyang,* Huaping Xiao, Chao Tang, Ming Hu,* and Jianxin Zhong, "Anisotropic Thermal Transport in Weyl Semimetal TaAs: a First-principles Calculation", Physical Chemistry Chemical Physics, 18, 16709 (2016).

56. Eungkyu Lee, Teng Zhang, Ming Hu, and Tengfei Luo,* "Thermal Boundary Conductance Enhancement using Experimentally Achievable Nanostructured Interfaces – Analytical Study Combined with Molecular Dynamics Simulation", Physical Chemistry Chemical Physics, 18, 16794 (2016).

55. Yanguang Zhou, Yagang Yao, and Ming Hu,* "Boundary Scattering Effect on Thermal Conductivity of Nanowires", Semiconductor Science and Technology, 31, 074004 (2016).

54. Yang Han, Guangzhao Qin, Christoph Jungemann,* and Ming Hu,* "Strain Modulated Electronic and Thermal Transport Properties of Two-dimensional O-silica", Nanotechnology, 27, 265706 (2016).

53. Guangzhao Qin, Zhenzhen Qin, Wu-Zhang Fang, Li-Chuan Zhang, Sheng-Ying Yue, Qing-Bo Yan,* Ming Hu,* and Gang Su,* "Diverse Anisotropy of Phonon Transport in Two-dimensional Group IV-VI Compounds: A Comparative Study", Nanoscale, 8, 11306 (2016).

52. Yanguang Zhou, Yuli Chen, and Ming Hu,* "Strong Surface Orientation Dependent Thermal Transport in Si Nanowires", Scientific Reports, 6, 24903 (2016).

51. Xiaoliang Zhang, Yufei Gao, Yuli Chen, and Ming Hu,* "Robustly Engineering Thermal Conductivity of Bilayer Graphene by Interlayer Bonding", Scientific Reports, 6, 22011 (2016).

50. Han Xie, Tao Ouyang, Éric Germaneau, Guangzhao Qin, Ming Hu,* and Hua Bao,* "Large Tunability of Lattice Thermal Conductivity of Monolayer Silicene via Mechanical Strain", Physical Review B, 93, 075404 (2016).

49. Yanguang Zhou, Xiaoliang Zhang, and Ming Hu,* “Excellent Candidate for Largely Reducing Interfacial Thermal Resistance: Nano-confined Mass Graded Interface”, Nanoscale, 8, 1994 (2016).

2015

48. Tao Ouyang and Ming Hu,* “Competing Mechanism Driving Diverse Pressure Dependence of Thermal Conductivity of XTe (X = Hg, Cd, and Zn)”, Physical Review B, 92, 235204 (2015).

47. Yanguang Zhou and Ming Hu,* “Quantitatively Analyzing Phonon Spectral Contribution of Thermal Conductivity Based on Non-Equilibrium Molecular Dynamics Simulation II: From Time Fourier Transform”, Physical Review B, 92, 195205 (2015).

46. Yanguang Zhou, Xiaoliang Zhang, and Ming Hu,* “Quantitatively Analyzing Phonon Spectral Contribution of Thermal Conductivity Based on Non-Equilibrium Molecular Dynamics Simulation I: From Space Fourier Transform”, Physical Review B, 92, 195204 (2015).

45. Yang Han and Ming Hu,* “Ground State of Bilayer hα-silica: Mechanical and Electronic Properties”, Nanotechnology, 26, 505702 (2015).

44. Yanguang Zhou,* Weiwei Wang, and Ming Hu, “The typical manners of dynamic crack propagation along the metal/ceramics interfaces: A molecular dynamics study”, Computational Materials Science, 112, 27 (2016).

43. Sheng-Ying Yue, Tao Ouyang, and Ming Hu,* “Diameter Dependence of Lattice Thermal Conductivity of Single-Walled Carbon Nanotubes: Study from Ab Initio”, Scientific Reports, 5, 15440 (2015).

42. Yingyan Zhang,* Qing-Xiang Pei, Ming Hu, and Zhi Zong, “Thermal Conductivity of Oxidized Gama-Graphyne”, RSC Advances, 5, 65221 (2015).

41. Tao Ouyang and Ming Hu,* “First-principles Study on Lattice Thermal Conductivity of Thermoelectrics HgTe in Different Phases”, Journal of Applied Physics, 117, 245101 (2015).

40. Ming Hu,* Yuhang Jing, and Xiaoliang Zhang, “Low Thermal Conductivity of Graphyne Nanotubes from Molecular Dynamics Study”, Physical Review B, 91, 155408 (2015).

39. Yufei Gao, Xiaoliang Zhang, Yuhang Jing, and Ming Hu,* “The Unexpected Non-monotonic Inter-layer Bonding Dependence of the Thermal Conductivity of Bilayered Boron Nitride”, Nanoscale, 7, 7143 (2015).

38. Matthew C. Wingert, Soonshin Kwon, Ming Hu, Dimos Poulikakos,* Jie Xiang,* and Renkun Chen,* “Sub-Amorphous Thermal Conductivity in Ultra-Thin Crystalline Silicon Nanotubes”, Nano Letters, 15, 2605 (2015).

37. Xiaoliang Zhang, Hua Bao,* and Ming Hu,* “Bilateral Substrate Effect on the Thermal Conductivity of Two-dimensional Silicon”, Nanoscale, 7, 6014 (2015).

36. Yuhang Jing, Ming Hu,* Yufei Gao, Licheng Guo, and Yi Sun, “On the Origin of Abnormal Phonon Transport of Graphyne”, International Journal of Heat and Mass Transfer, 85, 880 (2015).

35. Guangzhao Qin, Qing-Bo Yan,* Zhenzhen Qin, Sheng-Ying Yue, Ming Hu,* and Gang Su,* “Anisotropic Intrinsic Lattice Thermal Conductivity of Phosphorene from First Principles”, Physical Chemistry Chemical Physics, 17, 4854 (2015).

34. Tao Ouyang, Xiaoliang Zhang, and Ming Hu,* “Thermal Conductivity of Ordered-Disordered Material: a Case Study of Superionic Ag₂Te”, Nanotechnology, 26, 025702 (2015).

33. Yanguang Zhou, Yuli Chen,* Bin Liu, Shengtao Wang, Zhenyu Yang, and Ming Hu, “Mechanics of Nanoscale Wrinkling of Graphene on a Non-developable Surface”, Carbon, 84, 263 (2015).

2014

32. Tao Ouyang and Ming Hu,* “Thermal Transport and Thermoelectric Properties of Beta-Graphyne Nanostructures”, Nanotechnology, 25, 245401 (2014).

31. Han Xie, Ming Hu,* and Hua Bao,* “Thermal Conductivity of Silicene from First-principles”, Applied Physics Letters, 104, 131906 (2014).

30. Xiaoliang Zhang, Han Xie, Ming Hu,* Hua Bao,* Shengying Yue, Guangzhao Qin, and Gang Su, “Thermal Conductivity of Silicene Calculated Using an Optimized Stillinger-Weber Potential”, Physical Review B, 89, 054310 (2014).

29. Hua Bao,* Cheng Shao, Shirui Luo, and Ming Hu,* “Enhancement of Interfacial Thermal Transport by Carbon Nanotube-Graphene Junction”, Journal of Applied Physics, 115, 053524 (2014).

2013

28. Yuhang Jing and Ming Hu,* “Phonon Transport of Rough Si/Ge Superlattice Nanotubes”, Computers, Materials, & Continua, 38, 43 (2013).

27. Yuhang Jing, Ming Hu,* and Licheng Guo, “Thermal Conductivity of Hybrid Graphene/Silicon Heterostructures”, Journal of Applied Physics, 114, 153518 (2013).

26. Ming Hu,* Xiaoliang Zhang, and Dimos Poulikakos, “Anomalous Thermal Response of Silicene to Uniaxial Stretching”, Physical Review B, 87, 195417 (2013).

25. Xiaoliang Zhang, Ming Hu, and Dawei Tang,* “Thermal Rectification at Silicon/Horizontally Aligned Carbon Nanotube Interfaces”, Journal of Applied Physics, 113, 194307 (2013).

24. Ming Hu and Dimos Poulikakos,* “Graphene Mediated Thermal Resistance Reduction at Strongly Coupled Interfaces”, International Journal of Heat Mass Transfer, 62, 205 (2013).

2012

23. Ming Hu* and Dimos Poulikakos, “Si/Ge Superlattice Nanowires with Ultra-Low Thermal Conductivity”, Nano Letters, 12, 5487, (2012).

22. Xiaoliang Zhang, Ming Hu,* and Dimos Poulikakos, “A Low Frequency Wave Motion Mechanism Enables Efficient Energy Transport in Carbon Nanotubes at High Heat Fluxes”, Nano Letters, 12, 3410 (2012).

21. Xiaoliang Zhang, Ming Hu,* Konstantinos P. Giapis, and Dimos Poulikakos, “Schemes for and Mechanisms of Reduction in Thermal Conductivity in Nanostructured Thermoelectrics”, Journal of Heat Transfer, 134, 102402 (2012).

2011

20. Ming Hu, Xiaoliang Zhang, Costas P. Grigoropoulos, and Dimos Poulikakos,* “Large “Near Junction” Thermal Resistance Reduction in Electronics by Interface Nanoengineering”, International Journal of Heat and Mass Transfer, 54, 5183 (2011).

19. Ming Hu,* Xiaoliang Zhang, Konstantinos P. Giapis, and Dimos Poulikakos, “Thermal Conductivity Reduction in Core-Shell Nanowires”, Physical Review B, 84, 085442 (2011).

18. Ming Hu,* Konstantinos P. Giapis, Javier V. Goicochea, Xiaoliang Zhang, and Dimos Poulikakos, “Significant Reduction of Thermal Conductivity in Si/Ge Core-Shell Nanowires”, Nano Letters, 11, 618 (2011).

17. Ming Hu,* Konstantinos P. Giapis, and Dimos Poulikakos, “Interfacial Mixing during Annealing of Zinc Oxide Nanoparticle Pairs”, Applied Physics Letters, 98, 211904 (2011).

16. Javier V. Goicochea,* Ming Hu, Bruno Michel, and Dimos Poulikakos, “Surface Functionalization Mechanisms of Enhancing Heat Transfer at Solid-Liquid Interfaces”, Journal of Heat Transfer, 133, 082401 (2011).

2010

15. Ming Hu,* Konstantinos P. Giapis, Javier V. Goicochea, and Dimos Poulikakos, “Surface Segregation of Bimetallic Alloys in Nanoscale Confinement”, Applied Physics Letters, 97, 153107 (2010).

14. Ming Hu,* Javier V. Goicochea, Bruno Michel, and Dimos Poulikakos, “Water Nanoconfinement Induced Thermal Enhancement at Hydrophilic Quartz Interfaces”, Nano Letters, 10, 279 (2010).

13. Ming Hu,* Dimos Poulikakos,* Costas P. Grigoropoulos, and Heng Pan, “Recrystallization of Picosecond Laser-melted ZnO Nanoparticles in a Liquid: a Molecular Dynamics Study”, The Journal of Chemical Physics, 132, 164504 (2010).

12. Lin Hu, Lifa Zhang, Ming Hu, Jian-Sheng Wang, Baowen Li, and Pawel Keblinski,* “Phonon Interference at Self-assembled Monolayer Interfaces: Molecular Dynamics Simulations”, Physical Review B, 81, 235427 (2010).

2005 - 2009

11. Ming Hu,* Javier V. Goicochea, Bruno Michel, and Dimos Poulikakos,* “Thermal Rectification at Water Functionalized Silica Interfaces”, Applied Physics Letters, 95, 151903 (2009).

10. Ming Hu,* Pawel Keblinski,* and Patrick Schelling, “Kapitza Conductance of Silicon-amorphous Polyethylene Interfaces by Molecular Dynamics Simulation”, Physical Review B, 79, 104305 (2009).

9. Ming Hu,* Pawel Keblinski,* Jian-Sheng Wang and Nachiket Raravikar, “Interfacial Thermal Conductance between Silicon and a Vertical Carbon Nanotube”, Journal of Applied Physics, 104, 083583 (2008).

8. Ming Hu,* Pawel Keblinski,* and Baowen Li, “Thermal Rectification at Silicon-amorphous Polyethylene Interface”, Applied Physics Letters, 92, 211908 (2008).

7. Haiying Wang,* Ming Hu, Mengfen Xia, Fujiu Ke, and Yilong Bai, “Molecular/cluster Statistical Thermodynamics Methods to Simulate Quasi-static Deformations at Finite Temperature”, International Journal of Solids and Structures, 45, 3918 (2008).

6. Ming Hu,* Sergei Shenogin, and Pawel Keblinski,* “Molecular Dynamics Simulation of Interfacial Thermal Conductance between Silicon and Amorphous Polyethylene”, Applied Physics Letters, 91, 241910 (2007).

5. Ming Hu,* Sergei Shenogin, Pawel Keblinski,* and Nachiket Raravikar, “Air Flow through Carbon Nanotube Arrays”, Applied Physics Letters, 91, 131905 (2007).

4. Ming Hu,* Sergei Shenogin, Pawel Keblinski,* and Nachiket Raravikar, “Thermal Energy Exchange between Carbon Nanotube and Air”, Applied Physics Letters, 90, 231905 (2007).

3. Haiying Wang, Ming Hu, Nan Liu, Mengfen Xia, Fujiu Ke, and Yilong Bai,* “Multi-scale Analysis of AFM Tip and Surface Interactions”, Chemical Engineering Science, 62, 3589 (2007).

2. Ming Hu, Haiying Wang, Mengfen Xia, Fujiu Ke, Yilong Bai,* “Nonlocality Effect in Atomic Force Microcopy Measurement and its Reduction by an Approaching Method”, Journal of Engineering Materials and Technology, 127, 444 (2005).

1. Ming Hu, Haiying Wang, Mengfen Xia, Fujiu Ke, Yilong Bai,* “Equivalency and Locality in Nano-scale Measurement”, International Journal of Nonlinear Sciences and Numerical Simulation, 6, 235 (2005).