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Chen Huang, Ph.D. - Publications

Affiliations: 
2011 Princeton University, Princeton, NJ 
Area:
theoretical chemistry
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36 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Huang C. Exchange-correlation potential built on the derivative discontinuity of electron density. The Journal of Chemical Physics. 161. PMID 39171704 DOI: 10.1063/5.0223499  0.388
2024 Yu J, Huang C, Usoltsev O, Black AP, Gupta K, Spadaro MC, Pinto-Huguet I, Botifoll M, Li C, Herrero-Martín J, Zhou J, Ponrouch A, Zhao R, Balcells L, Zhang CY, et al. Promoting Polysulfide Redox Reactions through Electronic Spin Manipulation. Acs Nano. PMID 38981060 DOI: 10.1021/acsnano.4c05278  0.3
2023 Adams M, Huang C, Shatruk M. Effect of electron- and hole-doping on properties of kagomé-lattice ferromagnet FeSn. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 35. PMID 36996822 DOI: 10.1088/1361-648X/acc91e  0.318
2021 Chi YC, Shaban Tameh M, Huang C. Efficient Embedded Cluster Density Approximation Calculations with an Orbital-Free Treatment of Environments. Journal of Chemical Theory and Computation. PMID 33856795 DOI: 10.1021/acs.jctc.0c01133  0.336
2019 Huang C. Analytical energy gradient for the embedded cluster density approximation. The Journal of Chemical Physics. 151: 134101. PMID 31594334 DOI: 10.1063/1.5112789  0.44
2019 Hoyer CE, Williams-Young DB, Huang C, Li X. Embedding non-collinear two-component electronic structure in a collinear quantum environment. The Journal of Chemical Physics. 150: 174114. PMID 31067887 DOI: 10.1063/1.5092628  0.397
2018 Huang C. Embedded cluster density approximation for exchange-correlation energy: a natural extension of the local density approximation. Journal of Chemical Theory and Computation. PMID 30380864 DOI: 10.1021/Acs.Jctc.8B00471  0.479
2018 Tameh MS, Dearden AK, Huang C. Accuracy of Density Functional Theory for Predicting Kinetics of Methanol Synthesis from CO and CO2 Hydrogenation on Copper Journal of Physical Chemistry C. 122: 17942-17953. DOI: 10.1021/Acs.Jpcc.8B06498  0.367
2017 Huang C, Chi YC. Directly patching high-level exchange-correlation potential based on fully determined optimized effective potentials. The Journal of Chemical Physics. 147: 244111. PMID 29289130 DOI: 10.1063/1.5003663  0.355
2017 Peng Q, Sun X, Wang H, Yang Y, Wen X, Huang C, Liu S, De S. Theoretical prediction of a graphene-like structure of indium nitride: A promising excellent material for optoelectronics Applied Materials Today. 7: 169-178. DOI: 10.1016/J.Apmt.2017.03.001  0.351
2016 Huang C, Muñoz-García AB, Pavone M. Effective scheme for partitioning covalent bonds in density-functional embedding theory: From molecules to extended covalent systems. The Journal of Chemical Physics. 145: 244103. PMID 28010066 DOI: 10.1063/1.4972012  0.436
2016 Zhou C, Yuan L, Yuan Z, Doyle NK, Dilbeck T, Bahadur D, Ramakrishnan S, Dearden A, Huang C, Ma B. Phosphorescent Molecular Butterflies with Controlled Potential-Energy Surfaces and Their Application as Luminescent Viscosity Sensor. Inorganic Chemistry. PMID 27500886 DOI: 10.1021/Acs.Inorgchem.6B01108  0.33
2016 Huang C. Patch the exchange-correlation potential in density functional theory. Journal of Chemical Theory and Computation. PMID 27049843 DOI: 10.1021/Acs.Jctc.6B00051  0.498
2016 Huang C. Extending the density functional embedding theory to finite temperature and an efficient iterative method for solving for embedding potentials. The Journal of Chemical Physics. 144: 124106. PMID 27036426 DOI: 10.1063/1.4944464  0.434
2015 Han Y, Liu X, Wang Y, Wu X, Guan Y, Li H, Chen X, Zhou B, Yuan Q, Ou Y, Wu R, Huang W, Wang Y, Zhang M, Zhang Y, ... ... Huang C, et al. Identification of characteristic TRB V usage in HBV-associated HCC by using differential expression profiling analysis. Oncoimmunology. 4: e1021537. PMID 26405574 DOI: 10.1080/2162402X.2015.1021537  0.354
2015 Huang C, Perez D, Voter AF. Hyperdynamics boost factor achievable with an ideal bias potential. The Journal of Chemical Physics. 143: 074113. PMID 26298121 DOI: 10.1063/1.4928636  0.35
2015 Zhou C, Tian Y, Yuan Z, Han M, Wang J, Zhu L, Tameh MS, Huang C, Ma B. Precise Design of Phosphorescent Molecular Butterflies with Tunable Photoinduced Structural Change and Dual Emission. Angewandte Chemie (International Ed. in English). PMID 26212689 DOI: 10.1002/Anie.201505185  0.325
2014 Libisch F, Huang C, Carter EA. Embedded correlated wavefunction schemes: theory and applications. Accounts of Chemical Research. 47: 2768-75. PMID 24873211 DOI: 10.1021/Ar500086H  0.635
2014 Huang C, Libisch F, Peng Q, Carter EA. Time-dependent potential-functional embedding theory. The Journal of Chemical Physics. 140: 124113. PMID 24697430 DOI: 10.1063/1.4869538  0.561
2014 Chen M, Xia J, Huang C, Dieterich JM, Hung L, Shin I, Carter EA. Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations Computer Physics Communications. DOI: 10.1016/J.Cpc.2014.12.021  0.787
2013 Huang C, Voter AF, Perez D. Scalable kernel polynomial method for calculating transition rates Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.214106  0.368
2013 Chen M, Hung L, Huang C, Xia J, Carter EA. The melting point of lithium: An orbital-free first-principles molecular dynamics study Molecular Physics. 111: 3448-3456. DOI: 10.1080/00268976.2013.828379  0.65
2012 Libisch F, Huang C, Liao P, Pavone M, Carter EA. Origin of the energy barrier to chemical reactions of O2 on Al(111): evidence for charge transfer, not spin selection. Physical Review Letters. 109: 198303. PMID 23215432 DOI: 10.1103/Physrevlett.109.198303  0.694
2012 Xia J, Huang C, Shin I, Carter EA. Can orbital-free density functional theory simulate molecules? The Journal of Chemical Physics. 136: 084102. PMID 22380027 DOI: 10.1063/1.3685604  0.76
2012 Hung L, Huang C, Carter EA. Preconditioners and electron density optimization in orbital-free density functional theory Communications in Computational Physics. 12: 135-161. DOI: 10.4208/Cicp.190111.090911A  0.741
2012 Libisch F, Huang C, Liao P, Pavone M, Carter EA. Origin of the energy barrier to chemical reactions of O 2 on Al(111): Evidence for charge transfer, not spin selection Physical Review Letters. 109. DOI: 10.1103/PhysRevLett.109.198303  0.57
2012 Huang C, Carter EA. Toward an orbital-free density functional theory of transition metals based on an electron density decomposition Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.045126  0.661
2011 Huang C, Carter EA. Potential-functional embedding theory for molecules and materials. The Journal of Chemical Physics. 135: 194104. PMID 22112063 DOI: 10.1063/1.3659293  0.632
2011 Huang C, Pavone M, Carter EA. Quantum mechanical embedding theory based on a unique embedding potential. The Journal of Chemical Physics. 134: 154110. PMID 21513378 DOI: 10.1063/1.3577516  0.609
2011 Huang C, Carter EA. Direct minimization of the optimized effective problem based on efficient finite differences Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.165122  0.434
2010 Huang C, Carter EA. Nonlocal orbital-free kinetic energy density functional for semiconductors Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.045206  0.656
2010 Peng Q, Zhang X, Huang C, Carter EA, Lu G. Quantum mechanical study of solid solution effects on dislocation nucleation during nanoindentation Modelling and Simulation in Materials Science and Engineering. 18. DOI: 10.1088/0965-0393/18/7/075003  0.521
2010 Hung L, Huang C, Shin I, Ho GS, Lignères VL, Carter EA. Introducing PROFESS 2.0: A parallelized, fully linear scaling program for orbital-free density functional theory calculations Computer Physics Communications. 181: 2208-2209. DOI: 10.1016/J.Cpc.2010.09.001  0.645
2009 Shin I, Ramasubramaniam A, Huang C, Hung L, Carter EA. Orbital-free density functional theory simulations of dislocations in aluminum Philosophical Magazine. 89: 3195-3213. DOI: 10.1080/14786430903246353  0.769
2008 Huang C, Carter EA. Transferable local pseudopotentials for magnesium, aluminum and silicon. Physical Chemistry Chemical Physics : Pccp. 10: 7109-20. PMID 19039345 DOI: 10.1039/B810407G  0.579
2007 Ho GS, Huang C, Carter EA. Describing metal surfaces and nanostructures with orbital-free density functional theory Current Opinion in Solid State and Materials Science. 11: 57-61. DOI: 10.1016/J.Cossms.2008.06.005  0.776
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