Guanhua Chen

发表

Combined first-principles calculation and neural-network correction approach for heat of formation

Lihong Hu, X. Wang, Lai-Ho Wong, 2003 .

Structure descriptor for surface passivation in the simulation of atomistic models

Jian Sun, Li Cao, Wenping Wang, 2017, Science China Information Sciences.

A multi-scale modeling of junctionless field-effect transistors

Jun Z. Huang, W. Chew, Guanhua Chen, 2013 .

A generalized exchange-correlation functional: the Neural-Networks approach ☆

Lihong Hu, X. Wang, Guanhua Chen, 2003, physics/0311024.

Size-independent neural networks based first-principles method for accurate prediction of heat of formation of fuels.

Jian Sun, Guanhua Chen, G. Yang, 2018, The Journal of chemical physics.

Improving the Performance of Long-Range-Corrected Exchange-Correlation Functional with an Embedded Neural Network.

Lihong Hu, Guanhua Chen, Qin Liu, 2017, The journal of physical chemistry. A.

Atomic Level Modeling of Extremely Thin Silicon-on-Insulator MOSFETs Including the Silicon Dioxide: Electronic Structure

Guanhua Chen, C. Yam, S. Markov, 2015, IEEE Transactions on Electron Devices.

Towards atomic level simulation of electron devices including the semiconductor-oxide interface

Guanhua Chen, C. Yam, S. Markov, 2014, 2014 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD).

Title Towards Atomic Level Simulation of Electron Devices Includingthe Semiconductor-Oxide Interface

Guanhua Chen, C. Yam, S. Markov, 2014 .

Dynamic admittance of carbon nanotube-based molecular electronic devices and their equivalent electric circuit

W. Goddard, Guanhua Chen, C. Yam, 2008 .

NONLINEAR SUSCEPTIBILITIES OF DONOR-ACCEPTOR CONJUGATED SYSTEMS : COUPLED-OSCILLATOR REPRESENTATION

S. Mukamel, Guanhua Chen, 1995 .

Time-dependent density-functional theory/localized density matrix method for dynamic hyperpolarizability.

Guanhua Chen, C. Yam, Fan Wang, 2007, The Journal of chemical physics.

Linear-scaling computation of excited states in time-domain

Guanhua Chen, C. Yam, 2013, Science China Chemistry.

Existence of time-dependent density-functional theory for open electronic systems: time-dependent holographic electron density theorem.

Guanhua Chen, C. Yam, X. Zheng, 2011, Physical chemistry chemical physics : PCCP.

Model Order Reduction for Multiband Quantum Transport Simulations and its Application to p-Type Junctionless Transistors

L. J. Jiang, Guanhua Chen, C. Yam, 2013, IEEE Transactions on Electron Devices.

Nonlinear Polarizabilities of Donor-Acceptor Substituted Conjugated Polyenes

S. Mukamel, Guanhua Chen, 1996 .

STM Imaging of Electron Migration in Real Space and Time: a Simulation Study.

S. Mukamel, Guanhua Chen, YanHo Kwok, 2019, Nano letters.

A multiscale quantum mechanics/electromagnetics method for device simulations.

Guanhua Chen, C. Yam, L. Meng, 2015, Chemical Society reviews.

Improving Density Functional Prediction of Molecular Thermochemical Properties with a Machine-Learning-Corrected Generalized Gradient Approximation.

Guanhua Chen, R. Xu, C. Yam, 2021, The journal of physical chemistry. A.

Linear-scaling quantum mechanical methods for excited states.

Guanhua Chen, C. Yam, Fan Wang, 2012, Chemical Society reviews.

Dissipative time-dependent quantum transport theory: Quantum interference and phonon induced decoherence dynamics.

Guanhua Chen, C. Yam, Yu Zhang, 2014, The Journal of chemical physics.

Quantum transport through an array of quantum dots.

Guanhua Chen, Xiaodong Cui, Shuguang Chen, 2013, Nanoscale.

Frequency-domain multiscale quantum mechanics/electromagnetics simulation method.

Guanhua Chen, Siukong Koo, C. Yam, 2013, The Journal of chemical physics.

Time-dependent density-functional theory for open systems

Guanhua Chen, C. Yam, Xiao Zheng, 2007, quant-ph/0702249.

Quantum-mechanical investigation of field-emission mechanism of a micrometer-long single-walled carbon nanotube.

N. Xu, Guanhua Chen, Xiao Zheng, 2004, Physical review letters.

Multiscale Modeling of Plasmon-Enhanced Power Conversion Efficiency in Nanostructured Solar Cells.

Guanhua Chen, C. Yam, L. Meng, 2015, The journal of physical chemistry letters.

Title A fast time-domain EM-TCAD coupled simulation framework viamatrix exponential

Chung-Kuan Cheng, Guanhua Chen, Lijun Jiang, 2012 .

Atomic level simulation of permittivity of oxidized ultra-thin Si channels

Guanhua Chen, S. Markov, T. Frauenheim, 2015, 2015 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD).

Permittivity of Oxidized Ultra-Thin Silicon Films From Atomistic Simulations

Guanhua Chen, S. Markov, T. Frauenheim, 2015, IEEE Electron Device Letters.

Title Permittivity of oxidized ultra-thin silicon films from atomisticsimulations

Guanhua Chen, S. Markov, T. Frauenheim, 2015 .

Combined first--principles calculation and neural--network correction approach as a powerful tool in computational physics and chemistry

Lihong Hu, X. Wang, Lai-Ho Wong, 2003, physics/0306075.

First-Principles Method for Open Electronic Systems

Guanhua Chen, Xiao Zheng, 2005, physics/0502021.

Chapter 2 Quantum Transport Simulations Based on Time Dependent Density Functional Theory

Guanhua Chen, T. Niehaus, 2018 .

Time-dependent density functional theory for quantum transport

Guanhua Chen, Yu Zhang, YanHo Kwok, 2014 .

Time-dependent density functional theory for quantum transport

Guanhua Chen, Yu Zhang, YanHo Kwok, 2010, Frontiers of Physics.

Quantum Transport Simulations Based on Time Dependent Density Functional Theory

Guanhua Chen, T. Niehaus, 2012 .

A variational approach for dissipative quantum transport in a wide parameter space.

Guanhua Chen, C. Yam, Yu Zhang, 2015, The Journal of chemical physics.

Density matrix based time-dependent density functional theory and the solution of its linear response in real time domain.

Guanhua Chen, C. Yam, Kangnian Fan, 2007, The Journal of chemical physics.

Identification of Novel Small-Molecule Inhibitors of Severe Acute Respiratory Syndrome-Associated Coronavirus by Chemical Genetics

Herman Tse, Dan Yang, Kwok-Hung Chan, 2004, Chemistry & Biology.

Improving the accuracy of density-functional theory calculation: the genetic algorithm and neural network approach.

Min Zhang, Zhongmin Su, GuanHua Chen, 2007, The Journal of chemical physics.

Can Molecular Quantum Interference Effect Transistors Survive Vibration?

Guanhua Chen, M. Ratner, Shuguang Chen, 2017, The journal of physical chemistry letters.

A neural networks-based drug discovery approach and its application for designing aldose reductase inhibitors.

GuanHua Chen, LiHong Hu, Lihong Hu, 2006, Journal of molecular graphics & modelling.

Polymeric architectures of bismuth citrate based on dimeric building blocks

Lihong Hu, Guanhua Chen, Hongzhe Sun, 2010, Science China. Chemistry.

Toward the Exact Exchange-Correlation Potential: a 3D Convolutional Neural Network Construct.

GuanHua Chen, Guanhua Chen, Jiang Wu, 2019, The journal of physical chemistry letters.

Toward the Exact Exchange–Correlation Potential: A Three-Dimensional Convolutional Neural Network Construct

GuanHua Chen, Guanhua Chen, Jiang Wu, 2019 .

Alternative approach to chemical accuracy: a neural networks-based first-principles method for heat of formation of molecules made of H, C, N, O, F, S, and Cl.

Lihong Hu, Guanhua Chen, Tao Song, 2014, The journal of physical chemistry. A.

Dissipative time-dependent quantum transport theory.

Guanhua Chen, C. Yam, Yu Zhang, 2013, The Journal of chemical physics.

Time‐dependent quantum transport theory and its applications to graphene nanoribbons

Guanhua Chen, Yijing Yan, Xiao Zheng, 2013 .

Interference and Molecular Transport-A Dynamical View: Time-Dependent Analysis of Disubstituted Benzenes.

Guanhua Chen, M. Ratner, C. Yam, 2014, The journal of physical chemistry letters.

Effective Hamiltonian for conjugated polyenes based on the ground state single-electron density matrix

S. Mukamel, Guanhua Chen, 1996 .

Localized-density-matrix implementation of time-dependent density-functional theory

Satoshi Yokojima, GuanHua Chen, ChiYung Yam, 2003 .

Efficient Corrections for DFT Noncovalent Interactions Based on Ensemble Learning Models

Yinghua Lu, Chao Fang, Jingxia Cui, 2019, J. Chem. Inf. Model..

First‐principles Liouville–von Neumann equation for open systems and its applications

Guanhua Chen, C. Yam, X. Zheng, 2012 .

Time-dependent current distributions of a two-terminal carbon nanotube-based electronic device.

Guanhua Chen, Yijing Yan, Wenping Wang, 2011, The journal of physical chemistry. B.

Vibration-mediated resonant charge separation across the donor-acceptor interface in an organic photovoltaic device.

Guanhua Chen, Ziyang Hu, Ziyao Xu, 2021, The Journal of chemical physics.

Theoretical Understanding of Mechanisms of Proton Exchange Membranes Made of 2D Crystals with Ultrahigh Selectivity.

T. Zhao, Guanhua Chen, Le Shi, 2017, The journal of physical chemistry letters.

Time-dependent density functional theory quantum transport simulation in non-orthogonal basis.

Guanhua Chen, C. Yam, Xiao Zheng, 2013, The Journal of chemical physics.

Time-dependent quantum transport: an efficient method based on Liouville-von-Neumann equation for single-electron density matrix.

Guanhua Chen, Yijing Yan, C. Yam, 2012, The Journal of chemical physics.

Revealing generation, migration, and dissociation of electron-hole pairs and current emergence in an organic photovoltaic cell

Guanhua Chen, C. Yam, T. Frauenheim, 2021, Science Advances.

Time-Dependent Density Functional Theory for Open Systems and Its Applications.

Guanhua Chen, Shuguang Chen, YanHo Kwok, 2018, Accounts of chemical research.

Complex absorbing potential based Lorentzian fitting scheme and time dependent quantum transport.

Xiao Zheng, Feng Jiang, GuanHua Chen, 2014, The Journal of chemical physics.

A semilocal machine-learning correction to density functional approximations.

Guanhua Chen, R. Xu, Jingchun Wang, 2023, The Journal of chemical physics.

Improving the Accuracy of Density-Functional Theory Calculation: The Statistical Correction Approach

GuanHua Chen, Zhong-Min Su, LiHong Hu, 2004 .

AdaBoost Ensemble Correction Models for TDDFT Calculated Absorption Energies

Ting Gao, Chao Fang, Yinghua Lu, 2019, IEEE Access.

Accurate prediction of heat of formation by combining Hartree-Fock/density functional theory calculation with linear regression correction approach.

Guo-Liang Song, Xue-Mei Duan, X. Wang, 2004, The Journal of chemical physics.

A Combined First-principles Calculation and Neural Networks Correction Approach for Evaluating Gibbs Energy of Formation

GuanHua Chen, LiHong Hu, Lihong Hu, 2004 .

Coherent Real-Space Charge Transport Across a Donor-Acceptor Interface Mediated by Vibronic Couplings.

Guanhua Chen, C. Yam, T. Frauenheim, 2019, Nano letters.

A generalized exchange-correlation functional: the Neural-Networks approach ☆

Lihong Hu, X. Wang, Guanhua Chen, 2003, physics/0311024.

Machine Learning Corrections for DFT Noncovalent Interactions

GuanHua Chen, Zhong-Min Su, Wenze Li, 2021 .

Enhanced Photovoltaic Properties Induced by Ferroelectric Domain Structures in Organometallic Halide Perovskites

Guanhua Chen, C. Yam, S. Markov, 2017 .

Atomic Decoration for Improving the Efficiency of Field Electron Emission of Carbon Nanotubes

N. Xu, Guanhua Chen, Jie Peng, 2006, cond-mat/0609611.

Quantum mechanical understanding of field dependence of the apex barrier of a single-wall carbon nanotube

N. Xu, Guanhua Chen, Jie Peng, 2005 .

What are Memristor, Memcapacitor, and Meminductor?

Leon O. Chua, Guanhua Chen, Zhenyu Yin, 2015, IEEE Transactions on Circuits and Systems II: Express Briefs.

The roles of apex dipoles and field penetration in the physics of charged, field emitting, single-walled carbon nanotubes

N. Xu, Guanhua Chen, R. Forbes, 2006, cond-mat/0612600.

Neural network correction for heats of formation with a larger experimental training set and new descriptors

GuanHua Chen, Guo-Liang Song, Xue-Mei Duan, 2005 .

Multiscale quantum mechanics/electromagnetics simulation for electronic devices.

Ngai Wong, Lingyi Meng, GuanHua Chen, 2011, Physical chemistry chemical physics : PCCP.

Quantum Mechanical Simulation of Electron Dynamics on Surfaces of Materials

Guanhua Chen, C. Yam, Xiao Zheng, 2021 .

Quantum mechanical modeling the emission pattern and polarization of nanoscale light emitting diodes.

Guanhua Chen, C. Yam, T. Frauenheim, 2016, Nanoscale.

Dynamic Multiscale Quantum Mechanics/Electromagnetics Simulation Method.

Ngai Wong, Lingyi Meng, GuanHua Chen, 2012, Journal of chemical theory and computation.

Quantum Mechanical Modeling of Electron-Photon Interactions in Nanoscale Devices (Invited Paper)

Guanhua Chen, C. Yam, Rulin Wang, 2015 .

Time-dependent versus static quantum transport simulations beyond linear response

Thomas Frauenheim, Xiao Zheng, Yong Wang, 2011, 1101.0722.

Linear and nonlinear optical response of dimethyl-amino-nitro-stilbene (DANS): coupled oscillator representation versus sum-over-states picture

S. Mukamel, Guanhua Chen, J. Brédas, 1996 .

The coupled electronic oscillators vs the sum‐over‐states pictures for the optical response of octatetraene

S. Mukamel, Guanhua Chen, J. Brédas, 1996 .

A dynamic mean field theory for dissipative interacting many‐electron systems: Markovian formalism and its implementation

Guanhua Chen, Yijing Yan, Satoshi Yokojima, 2003, J. Comput. Chem..

Stark control of electrons along nanojunctions

Guanhua Chen, Liping Chen, Yu Zhang, 2018, Nature Communications.

Communication: Linear-expansion shooting techniques for accelerating self-consistent field convergence.

Guanhua Chen, C. Yam, Y. A. Wang, 2011, The Journal of chemical physics.

Dominant electronic oscillators in the optical nonlinearities of conjugated polyenes

S. Mukamel, Guanhua Chen, 1995 .

Time-dependent density functional theory for open systems with a positivity-preserving decomposition scheme for environment spectral functions.

Guanhua Chen, C. Yam, Xiao Zheng, 2015, The Journal of chemical physics.

An efficient solution of Liouville-von Neumann equation that is applicable to zero and finite temperatures.

Guanhua Chen, Heng Tian, 2012, The Journal of chemical physics.

Linear-scaling time-dependent density-functional theory

Guanhua Chen, C. Yam, S. Yokojima, 2003 .

D ec 2 00 6 The roles of apex dipoles and field penetration in the physics of charged , field emitting , single-walled carbon nanotubes

N. Xu, Guanhua Chen, R. Forbes, 2008 .

Density functional calculations on atomic and electronic structures of amorphous HfO2/Si(001) interface

Guanhua Chen, X. Gong, Z. Hou, 2009 .

Time-dependent density functional theory based Ehrenfest dynamics.

Lihong Hu, Guanhua Chen, C. Yam, 2011, The Journal of chemical physics.

Fundamental Limit to Scaling Si Field-Effect Transistors Due to Source-to-Drain Direct Tunneling

Guanhua Chen, S. Markov, Weijun Zhou, 2019, IEEE Transactions on Electron Devices.

First-principles time-dependent quantum transport theory

Guanhua Chen, Shuguang Chen, Yu Zhang, 2013 .

An efficient solution of Liouville-von Neumann equation that is applicable to zero and finite temperatures.

Guanhua Chen, Heng Tian, 2012, The Journal of chemical physics.

An efficient method for quantum transport simulations in the time domain

T. A. Niehaus, Guanhua Chen, C. Yam, 2011, 1101.5929.

Time-dependent simulation of photocurrent-detected two-dimensional spectroscopy of open systems.

S. Mukamel, Guanhua Chen, Weijun Zhou, 2021, The Journal of chemical physics.

Combined first-principles calculation and neural-network correction approach for heat of formation

Lihong Hu, X. Wang, Lai-Ho Wong, 2003 .

Designing Principles of Molecular Quantum Interference Effect Transistors.

Guanhua Chen, M. Ratner, Shuguang Chen, 2018, The journal of physical chemistry letters.

Quantum-Mechanical Prediction of Nanoscale Photovoltaics.

Guanhua Chen, C. Yam, L. Meng, 2014, The journal of physical chemistry letters.

Title Frequency-domain multiscale quantummechanics / electromagnetics simulation method

Guanhua Chen, C. Yam, Quan Chen, 2014 .

Linear‐Scaling Quantum Mechanical Methods for Excited States

GuanHua Chen, ChiYung Yam, Guanhua Chen, 2012 .

Nonlinear Polarizabilities of Donor-Acceptor Substituted Conjugated Polyenes.

S. Mukamel, Guanhua Chen, 1996 .

A Combined First-principles Calculation and Neural Networks Correction Approach for Evaluating Gibbs Energy of Formation

Lihong Hu, Lai-Ho Wong, Guanhua Chen, 2004 .

Identification of Novel Small-Molecule Inhibitors of Severe Acute Respiratory Syndrome-Associated Coronavirus by Chemical Genetics

Guanhua Chen, D. Ho, Kwok-Hung Chan, 2004, Chemistry & Biology.

A fast time‐domain EM–TCAD coupled simulation framework via matrix exponential with stiffness reduction

Quan Chen, Ngai Wong, Chung-Kuan Cheng, 2016, Int. J. Circuit Theory Appl..

A fast time-domain EM-TCAD coupled simulation framework via matrix exponential

Quan Chen, Lijun Jiang, Ngai Wong, 2012, 2012 IEEE/ACM International Conference on Computer-Aided Design (ICCAD).

Title Linear scaling time-dependent density-functional tight-binding method for absorption spectra of large systems

Thomas Frauenheim, GuanHua Chen, Thomas A. Niehaus, 2007 .

Reduced electronic density matrices, effective Hamiltonians, and nonlinear susceptibilities of conjugated polyenes

S. Mukamel, Guanhua Chen, 1995 .