Quantum mechanical embedding theory based on a unique embedding potential C Huang, M Pavone, EA Carter The Journal of chemical physics 134 (15), 2011 | 298 | 2011 |
Embedded Correlated Wavefunction Schemes: Theory and Applications F Libisch, C Huang, EA Carter Accounts of chemical research 47 (9), 2768-2775, 2014 | 249 | 2014 |
Nonlocal orbital-free kinetic energy density functional for semiconductors C Huang, EA Carter Physical Review B 81 (4), 045206, 2010 | 190 | 2010 |
Origin of the energy barrier to chemical reactions of O 2 on Al (111): Evidence for charge transfer, not spin selection F Libisch, C Huang, P Liao, M Pavone, EA Carter Physical review letters 109 (19), 198303, 2012 | 152 | 2012 |
Transferable local pseudopotentials for magnesium, aluminum and silicon C Huang, EA Carter Physical Chemistry Chemical Physics 10 (47), 7109-7120, 2008 | 141 | 2008 |
Potential-functional embedding theory for molecules and materials C Huang, EA Carter The Journal of chemical physics 135 (19), 2011 | 136 | 2011 |
Can orbital-free density functional theory simulate molecules? J Xia, C Huang, I Shin, EA Carter The Journal of chemical physics 136 (8), 2012 | 116 | 2012 |
Precise design of phosphorescent molecular butterflies with tunable photoinduced structural change and dual emission C Zhou, Y Tian, Z Yuan, M Han, J Wang, L Zhu, MS Tameh, C Huang, ... Angewandte Chemie 127 (33), 9727-9731, 2015 | 94 | 2015 |
Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations. M Chen, J Xia, C Huang, JM Dieterich, L Hung, I Shin, EA Carter Comput. Phys. Commun. 190, 228-230, 2015 | 81 | 2015 |
Introducing PROFESS 2.0: A parallelized, fully linear scaling program for orbital-free density functional theory calculations L Hung, C Huang, I Shin, GS Ho, VL Lignères, EA Carter Computer Physics Communications 181 (12), 2208-2209, 2010 | 73 | 2010 |
The melting point of lithium: an orbital-free first-principles molecular dynamics study M Chen, L Hung, C Huang, J Xia, EA Carter Molecular Physics 111 (22-23), 3448-3456, 2013 | 55 | 2013 |
Defect engineering of 2d monatomic-layer materials Q Peng, J Crean, AK Dearden, C Huang, X Wen, SPA Bordas, S De Modern Physics Letters B 27 (23), 1330017, 2013 | 53 | 2013 |
Phosphorescent Molecular Butterflies with Controlled Potential-Energy Surfaces and Their Application as Luminescent Viscosity Sensor C Zhou, L Yuan, Z Yuan, NK Doyle, T Dilbeck, D Bahadur, ... Inorganic Chemistry 55 (17), 8564-8569, 2016 | 47 | 2016 |
Orbital-free density functional theory simulations of dislocations in aluminum I Shin, A Ramasubramaniam, C Huang, L Hung, EA Carter Philosophical Magazine 89 (34-36), 3195-3213, 2009 | 44 | 2009 |
Accuracy of Density Functional Theory for Predicting Kinetics of Methanol Synthesis from CO and CO2 Hydrogenation on Copper MS Tameh, AK Dearden, C Huang The Journal of Physical Chemistry C 122 (31), 17942-17953, 2018 | 43 | 2018 |
Toward an orbital-free density functional theory of transition metals based on an electron density decomposition C Huang, EA Carter Physical Review B 85 (4), 045126, 2012 | 42 | 2012 |
Describing metal surfaces and nanostructures with orbital-free density functional theory GS Ho, C Huang, EA Carter Current Opinion in Solid State and Materials Science 11 (5-6), 57-61, 2007 | 33 | 2007 |
Theoretical prediction of a graphene-like structure of indium nitride: A promising excellent material for optoelectronics Q Peng, X Sun, H Wang, Y Yang, X Wen, C Huang, S Liu, S De Applied Materials Today 7, 169-178, 2017 | 31 | 2017 |
Thiazol-2-thiolate-Bridged Binuclear Platinum (II) Complexes with High Photoluminescence Quantum Efficiencies of up to Near Unity M Chaaban, YC Chi, M Worku, C Zhou, H Lin, S Lee, A Ben-Akacha, X Lin, ... Inorganic Chemistry 59 (18), 13109-13116, 2020 | 30 | 2020 |
Time-dependent potential-functional embedding theory C Huang, F Libisch, Q Peng, EA Carter The Journal of chemical physics 140 (12), 2014 | 25 | 2014 |