Chen Huang

发表

Scalable kernel polynomial method for calculating transition rates

A. Voter, Chen Huang, D. Perez, 2013 .

PAPER www.rsc.org/pccp | Physical Chemistry Chemical Physics Transferable local pseudopotentials for magnesium, aluminum and silicon

Chen Huang, E. Carter, 2008 .

Can orbital-free density functional theory simulate molecules?

Chen Huang, Ilgyou Shin, E. Carter, 2012, The Journal of chemical physics.

Orbital-free density functional theory simulations of dislocations in aluminum

Chen Huang, Linda Hung, Ilgyou Shin, 2009 .

The melting point of lithium: an orbital-free first-principles molecular dynamics study

Emily A. Carter, Linda Hung, Chen Huang, 2013 .

Wavelength‐decomposition‐based embedded cluster density approximation for systems with nonlocal electron correlation

Chen Huang, 2020 .

Embedding non-collinear two-component electronic structure in a collinear quantum environment.

Chad E. Hoyer, David B. Williams-Young, Chen Huang, 2019, The Journal of chemical physics.

Patching the Exchange-Correlation Potential in Density Functional Theory.

Chen Huang, 2016, Journal of chemical theory and computation.

Analytical energy gradient for the embedded cluster density approximation.

Chen Huang, 2019, The Journal of chemical physics.

Directly patching high-level exchange-correlation potential based on fully determined optimized effective potentials.

Chen Huang, Yu-Chieh Chi, 2017, The Journal of chemical physics.

Methods toward large-scale and highly-accurate quantum mechanics simulations of materials

Chen Huang, 2011 .

On the origin of high ionic conductivity in Na-doped SrSiO3† †Electronic supplementary information (ESI) available: NMR spectra, deconvolution results, and DFT calculations. See DOI: 10.1039/c5sc04270d

Chen Huang, Kevin Huang, I. Hung, 2016, Chemical science.

Quantum mechanical study of solid solution effects on dislocation nucleation during nanoindentation

Chen Huang, E. Carter, G. Lu, 2010 .

Microscopic Insights into the Reconstructive Phase Transition of KNaNbOF5 with 19F NMR Spectroscopy

Jaye K. Harada, Chen Huang, P. Chien, 2020 .

Effective scheme for partitioning covalent bonds in density-functional embedding theory: From molecules to extended covalent systems.

Chen Huang, Michele Pavone, A. Muñoz‐García, 2016, The Journal of chemical physics.

Extending the density functional embedding theory to finite temperature and an efficient iterative method for solving for embedding potentials.

Chen Huang, Chen Huang, 2016, The Journal of chemical physics.

Florian Libisch, Chen Huang, Emily A Carter, 2014, Accounts of chemical research.

Time-dependent potential-functional embedding theory.

Qing Peng, Florian Libisch, Chen Huang, 2014, The Journal of chemical physics.

Potential-functional embedding theory for molecules and materials.

Chen Huang, Emily A Carter, Chen Huang, 2011, The Journal of chemical physics.

Quantum mechanical embedding theory based on a unique embedding potential.

Chen Huang, Michele Pavone, Emily A Carter, 2011, The Journal of chemical physics.

Origin of the energy barrier to chemical reactions of O2 on Al(111): evidence for charge transfer, not spin selection.

Florian Libisch, Chen Huang, Michele Pavone, 2012, Physical review letters.

Accuracy of Density Functional Theory for Predicting Kinetics of Methanol Synthesis from CO and CO2 Hydrogenation on Copper

Albert K. Dearden, Chen Huang, Maliheh Shaban Tameh, 2018, The Journal of Physical Chemistry C.

Large Impact of Approximate Exchange-Correlation Functionals on Modeling the Water Gas Shift Reaction on Copper

Chen Huang, Maliheh Shaban Tameh, 2020 .

Efficient Embedded Cluster Density Approximation Calculations with an Orbital-Free Treatment of Environments.

Chen Huang, Maliheh Shaban Tameh, Yu-Chieh Chi, 2021, Journal of chemical theory and computation.

Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations

Chen Huang, Linda Hung, Emily A. Carter, 2015, Comput. Phys. Commun..

Nonlocal orbital-free kinetic energy density functional for semiconductors

Emily A. Carter, Chen Huang, Chen Huang, 2010 .

Analytical Forces for the Optimized Effective Potential Calculations.

Chen Huang, 2023, Journal of chemical theory and computation.

Embedded Cluster Density Approximation for Exchange-Correlation Energy: A Natural Extension of the Local Density Approximation.

Chen Huang, 2018, Journal of chemical theory and computation.

Accelerate stochastic calculation of random-phase approximation correlation energy difference with an atom-based correlated sampling

Chen Huang, Yu-Chieh Chi, 2021 .

Origin of the Barrier to Reactions of O2 on Al(111): Charge Transfer not Spin Selection

Chen Huang, Michele Pavone, E. Carter, 2012 .

Hyperdynamics boost factor achievable with an ideal bias potential.

Danny Perez, Chen Huang, Arthur F Voter, 2014, The Journal of chemical physics.

Preconditioners and Electron Density Optimization in Orbital-Free Density Functional Theory

Emily A. Carter, Linda Hung, Chen Huang, 2012 .

Quantum mechanical embedding theory based on a unique embedding potential.

Chen Huang, Michele Pavone, E. Carter, 2011, The Journal of chemical physics.

Introducing PROFESS 2.0: A parallelized, fully linear scaling program for orbital-free density functional theory calculations

Chen Huang, Linda Hung, Emily A. Carter, 2010, Comput. Phys. Commun..

Describing metal surfaces and nanostructures with orbital-free density functional theory

Emily A. Carter, Chen Huang, Gregory S. Ho, 2007 .

Toward an orbital-free density functional theory of transition metals based on an electron density decomposition

Emily A. Carter, Chen Huang, Chen Huang, 2012 .