☰

GuanHua Chen - Publications

Affiliations: 
Chemistry The University of Hong Kong, Hong Kong Island, Hong Kong, Hong Kong 
Tree Info Similar researchers PubMed Report error

91 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
2019 Xu Z, Zhou Y, Groß L, De Sio A, Yam C, Lienau C, Frauenheim T, Chen G. Coherent Real-Space Charge Transport Across a Donor-Acceptor Interface Mediated by Vibronic Couplings. Nano Letters. PMID 31698905 DOI: 10.1021/Acs.Nanolett.9B03194  0.327
2019 Chen G, Guo Y, Karasawa N, Goddard WA. Electron-phonon interactions and superconductivity in K3C60. Physical Review. B, Condensed Matter. 48: 13959-13970. PMID 10007797 DOI: 10.1103/Physrevb.48.13959  0.42
2018 Chen L, Zhang Y, Chen G, Franco I. Stark control of electrons along nanojunctions. Nature Communications. 9: 2070. PMID 29802292 DOI: 10.1038/S41467-018-04393-4  0.351
2018 Chen S, Chen G, Ratner MA. Designing Principles of Molecular Quantum Interference Effect Transistors. The Journal of Physical Chemistry Letters. PMID 29750871 DOI: 10.1021/Acs.Jpclett.8B01185  0.333
2018 Chen S, Kwok Y, Chen G. Time-Dependent Density Functional Theory for Open Systems and Its Applications. Accounts of Chemical Research. PMID 29350516 DOI: 10.1021/Acs.Accounts.7B00382  0.409
2017 Chen S, Zhou W, Zhang Q, Kwok Y, Chen G, Ratner MA. Can Molecular Quantum Interference Effect Transistors Survive Vibration? The Journal of Physical Chemistry Letters. PMID 28974091 DOI: 10.1021/Acs.Jpclett.7B02214  0.325
2017 Liu Q, Wang J, Du P, Hu L, Zheng X, Chen G. Improving the Performance of Long-Range-Corrected Exchange-Correlation Functional With an Embedded Neural Network. The Journal of Physical Chemistry. A. PMID 28876064 DOI: 10.1021/Acs.Jpca.7B07045  0.318
2017 Bi F, Markov S, Wang R, Kwok Y, Zhou W, Liu L, Zheng X, Chen G, Yam C. Enhanced Photovoltaic Properties Induced by Ferroelectric Domain Structures in Organometallic Halide Perovskites Journal of Physical Chemistry C. 121: 11151-11158. DOI: 10.1021/Acs.Jpcc.7B03091  0.334
2016 Wang R, Zhang Y, Bi F, Frauenheim T, Chen G, Yam C. Quantum mechanical modeling the emission pattern and polarization of nanoscale light emitting diodes. Nanoscale. PMID 27249329 DOI: 10.1039/C6Nr02356H  0.371
2016 Chen Q, Schoenmaker W, Weng SH, Cheng CK, Chen GH, Jiang LJ, Wong N. A fast time-domain EM-TCAD coupled simulation framework via matrix exponential with stiffness reduction International Journal of Circuit Theory and Applications. 44: 833-850. DOI: 10.1002/Cta.2109  0.31
2015 Meng L, Yam C, Zhang Y, Wang R, Chen G. Multiscale Modeling of Plasmon-Enhanced Power Conversion Efficiency in Nanostructured Solar Cells. The Journal of Physical Chemistry Letters. 6: 4410-4416. PMID 26722976 DOI: 10.1021/Acs.Jpclett.5B01913  0.356
2015 Zhang Y, Yam C, Chen G. A variational approach for dissipative quantum transport in a wide parameter space. J Chem Phys. 143: 104112. PMID 26619516 DOI: 10.1063/1.4930847  0.409
2015 Zhang Y, Yam C, Chen G. Dissipative time-dependent quantum transport theory: Quantum interference and phonon induced decoherence dynamics. The Journal of Chemical Physics. 142: 164101. PMID 25933746 DOI: 10.1063/1.4918771  0.423
2015 Wang R, Zheng X, Kwok Y, Xie H, Chen G, Yam C. Time-dependent density functional theory for open systems with a positivity-preserving decomposition scheme for environment spectral functions. The Journal of Chemical Physics. 142: 144112. PMID 25877567 DOI: 10.1063/1.4917172  0.366
2015 Yam C, Meng L, Zhang Y, Chen G. A multiscale quantum mechanics/electromagnetics method for device simulations. Chemical Society Reviews. 44: 1763-76. PMID 25611987 DOI: 10.1039/C4Cs00348A  0.422
2015 Markov S, Aradi B, Yam C, Xie H, Frauenheim T, Chen G. Atomic Level Modeling of Extremely Thin Silicon-on-Insulator MOSFETs Including the Silicon Dioxide: Electronic Structure Ieee Transactions On Electron Devices. 62: 696-704. DOI: 10.1109/Ted.2014.2387288  0.314
2015 Chen Q, Li J, Yam C, Zhang Y, Wong N, Chen G. An approximate framework for quantum transport calculation with model order reduction Journal of Computational Physics. 286: 49-61. DOI: 10.1016/J.Jcp.2015.01.032  0.381
2014 Chen S, Zhang Y, Koo S, Tian H, Yam C, Chen G, Ratner MA. Interference and Molecular Transport-A Dynamical View: Time-Dependent Analysis of Disubstituted Benzenes. The Journal of Physical Chemistry Letters. 5: 2748-52. PMID 26277974 DOI: 10.1021/Jz5007143  0.387
2014 Zhang Y, Meng L, Yam C, Chen G. Quantum-Mechanical Prediction of Nanoscale Photovoltaics. The Journal of Physical Chemistry Letters. 5: 1272-7. PMID 26274483 DOI: 10.1021/Jz5003154  0.392
2014 Xie H, Kwok Y, Jiang F, Zheng X, Chen G. Complex absorbing potential based Lorentzian fitting scheme and time dependent quantum transport. The Journal of Chemical Physics. 141: 164122. PMID 25362287 DOI: 10.1063/1.4898729  0.364
2014 Huang JZ, Zhang L, Chew WC, Yam CY, Jiang LJ, Chen GH, Chan M. Model order reduction for quantum transport simulation of band-to-band tunneling devices Ieee Transactions On Electron Devices. 61: 561-568. DOI: 10.1109/Ted.2013.2295983  0.314
2014 Yam C, Chen G. Linear-scaling computation of excited states in time-domain Science China-Chemistry. 57: 70-77. DOI: 10.1007/S11426-013-5007-5  0.325
2013 Meng L, Yin Z, Yam C, Koo S, Chen Q, Wong N, Chen G. Frequency-domain multiscale quantum mechanics/electromagnetics simulation method. The Journal of Chemical Physics. 139: 244111. PMID 24387361 DOI: 10.1063/1.4853635  0.349
2013 Wen S, Guan W, Kan Y, Yang G, Ma N, Yan L, Su Z, Chen G. Theoretical insights into [PMo12O40](3-) grafted on single-walled carbon nanotubes. Physical Chemistry Chemical Physics : Pccp. 15: 9177-85. PMID 23652730 DOI: 10.1039/C3Cp51380G  0.314
2013 Zhang Y, Yam CY, Chen G. Dissipative time-dependent quantum transport theory. The Journal of Chemical Physics. 138: 164121. PMID 23635125 DOI: 10.1063/1.4802592  0.453
2013 Chen S, Xie H, Zhang Y, Cui X, Chen G. Quantum transport through an array of quantum dots. Nanoscale. 5: 169-73. PMID 23175291 DOI: 10.1039/C2Nr32343E  0.38
2013 Tian H, Chen G. Application of hierarchical equations of motion (HEOM) to time dependent quantum transport at zero and finite temperatures European Physical Journal B. 86: 411. DOI: 10.1140/Epjb/E2013-40333-7  0.336
2013 Zhang J, Yin Z, Zheng X, Yam C, Chen G. Gauge-invariant and current-continuous microscopic ac quantum transport theory European Physical Journal B. 86: 423. DOI: 10.1140/Epjb/E2013-40325-7  0.382
2013 Huang JZ, Chew WC, Peng J, Yam CY, Jiang LJ, Chen GH. Model order reduction for multiband quantum transport simulations and its application to p-type junctionless transistors Ieee Transactions On Electron Devices. 60: 2111-2119. DOI: 10.1109/Ted.2013.2260546  0.341
2013 Zhang Y, Chen S, Chen G. First-principles time-dependent quantum transport theory Physical Review B. 87: 85110. DOI: 10.1103/Physrevb.87.085110  0.382
2013 Yam C, Peng J, Chen Q, Markov S, Huang JZ, Wong N, Cho Chew W, Chen G. A multi-scale modeling of junctionless field-effect transistors Applied Physics Letters. 103: 062109. DOI: 10.1063/1.4817911  0.34
2013 Xie H, Kwok Y, Zhang Y, Jiang F, Zheng X, Yan Y, Chen G. Time-dependent quantum transport theory and its applications to graphene nanoribbons Physica Status Solidi (B). 250: 2481-2494. DOI: 10.1002/Pssb.201349247  0.377
2012 Meng L, Yam C, Koo S, Chen Q, Wong N, Chen G. Dynamic Multiscale Quantum Mechanics/Electromagnetics Simulation Method. Journal of Chemical Theory and Computation. 8: 1190-9. PMID 26596737 DOI: 10.1021/Ct200859H  0.356
2012 Tian H, Chen G. An efficient solution of Liouville-von Neumann equation that is applicable to zero and finite temperatures. The Journal of Chemical Physics. 137: 204114. PMID 23205988 DOI: 10.1063/1.4767460  0.376
2012 Xie H, Jiang F, Tian H, Zheng X, Kwok Y, Chen S, Yam C, Yan Y, Chen G. Time-dependent quantum transport: an efficient method based on Liouville-von-Neumann equation for single-electron density matrix. The Journal of Chemical Physics. 137: 044113. PMID 22852603 DOI: 10.1063/1.4737864  0.409
2012 Yam C, Zhang Q, Wang F, Chen G. Linear-scaling quantum mechanical methods for excited states. Chemical Society Reviews. 41: 3821-38. PMID 22419073 DOI: 10.1039/C2Cs15259B  0.322
2012 Zhang M, Su Z, Chen G. Structure-dependent optical properties of single-walled silicon nanotubes. Physical Chemistry Chemical Physics : Pccp. 14: 4695-702. PMID 22374472 DOI: 10.1039/C2Cp23164F  0.336
2011 Wang F, Yam CY, Hu L, Chen G. Time-dependent density functional theory based Ehrenfest dynamics. The Journal of Chemical Physics. 135: 044126. PMID 21806109 DOI: 10.1063/1.3615958  0.343
2011 Yam C, Meng L, Chen G, Chen Q, Wong N. Multiscale quantum mechanics/electromagnetics simulation for electronic devices. Physical Chemistry Chemical Physics : Pccp. 13: 14365-9. PMID 21660348 DOI: 10.1039/C1Cp20766K  0.382
2011 Zheng X, Yam C, Wang F, Chen G. Existence of time-dependent density-functional theory for open electronic systems: time-dependent holographic electron density theorem. Physical Chemistry Chemical Physics : Pccp. 13: 14358-64. PMID 21643618 DOI: 10.1039/C1Cp20777F  0.36
2011 Wen S, Koo S, Yam C, Zheng X, Yan Y, Su Z, Fan K, Cao L, Wang W, Chen G. Time-dependent current distributions of a two-terminal carbon nanotube-based electronic device. The Journal of Physical Chemistry. B. 115: 5519-25. PMID 21388104 DOI: 10.1021/Jp1110949  0.369
2011 Yam C, Zheng X, Chen G, Wang Y, Frauenheim T, Niehaus TA. Time-dependent versus static quantum transport simulations beyond linear response Physical Review B. 83. DOI: 10.1103/Physrevb.83.245448  0.401
2010 Zheng X, Chen G, Mo Y, Koo S, Tian H, Yam C, Yan Y. Time-dependent density functional theory for quantum transport. The Journal of Chemical Physics. 133: 114101. PMID 20866120 DOI: 10.1063/1.3475566  0.397
2010 Mukamel S, Takahashi A, Wang HX, Chen G. Electronic coherence and nonlinear susceptibilities of conjugated polyenes. Science (New York, N.Y.). 266: 250-4. PMID 17771444 DOI: 10.1126/Science.266.5183.250  0.349
2008 Yam C, Mo Y, Wang F, Li X, Chen G, Zheng X, Matsuda Y, Tahir-Kheli J, Goddard III WA. Dynamic admittance of carbon nanotube-based molecular electronic devices and their equivalent electric circuit Nanotechnology. 19: 495203. DOI: 10.1088/0957-4484/19/49/495203  0.327
2008 Peng J, Li Z, He C, Chen G, Wang W, Deng S, Xu N, Zheng X, Chen G, Edgcombe CJ, Forbes RG. The roles of apex dipoles and field penetration in the physics of charged, field emitting, single-walled carbon nanotubes Journal of Applied Physics. 104: 14310. DOI: 10.1063/1.2946449  0.321
2008 Guo Z, Liang W, Zhao Y, Chen G. Real-Time Propagation of the Reduced One-Electron Density Matrix in Atom-Centered Orbitals: Application to Electron Injection Dynamics in Dye-Sensitized TiO2 Clusters Journal of Physical Chemistry C. 112: 16655-16662. DOI: 10.1021/Jp802007H  0.306
2007 Wang F, Yam CY, Chen G. Time-dependent density-functional theory/localized density matrix method for dynamic hyperpolarizability. The Journal of Chemical Physics. 126: 244102. PMID 17614532 DOI: 10.1063/1.2746034  0.361
2007 Li H, Shi L, Zhang M, Su Z, Wang X, Hu L, Chen G. Improving the accuracy of density-functional theory calculation: the genetic algorithm and neural network approach. The Journal of Chemical Physics. 126: 144101. PMID 17444695 DOI: 10.1063/1.2715579  0.337
2007 Wang F, Yam CY, Chen G, Fan K. Density matrix based time-dependent density functional theory and the solution of its linear response in real time domain. The Journal of Chemical Physics. 126: 134104. PMID 17430013 DOI: 10.1063/1.2715549  0.361
2007 Wang F, Yam CY, Chen G, Wang X, Fan K, Niehaus TA, Frauenheim T. Linear scaling time-dependent density-functional tight-binding method for absorption spectra of large systems Physical Review B. 76: 45114. DOI: 10.1103/Physrevb.76.045114  0.353
2007 Xu Z, Zheng Q, Chen G. Thermally driven large-amplitude fluctuations in carbon-nanotube-based devices: Molecular dynamics simulations Physical Review B. 75: 195445. DOI: 10.1103/Physrevb.75.195445  0.308
2007 Zheng X, Wang F, Yam CY, Mo Y, Chen G. Time-dependent density-functional theory for open systems Physical Review B. 75: 195127. DOI: 10.1103/Physrevb.75.195127  0.41
2007 Chen G, Li Z, Peng J, He C, Wang W, Deng S, Xu N, Wang C, Wang S, Zheng X, Chen G, Yu T. Atomic Decoration for Improving the Efficiency of Field Electron Emission of Carbon Nanotubes Journal of Physical Chemistry C. 111: 4939-4945. DOI: 10.1021/Jp066316W  0.309
2006 Xu SJ, Li GQ, Wang YJ, Zhao Y, Chen GH, Zhao DG, Zhu JJ, Yang H, Yu DP, Wang JN. Quantum dissipation and broadening mechanisms due to electron-phonon interactions in self-formed InGaN quantum dots Applied Physics Letters. 88: 083123. DOI: 10.1063/1.2179113  0.342
2005 Peng J, Li Z, He C, Deng S, Xu N, Zheng X, Chen G. Quantum mechanical understanding of field dependence of the apex barrier of a single-wall carbon nanotube Physical Review B. 72: 235106. DOI: 10.1103/Physrevb.72.235106  0.323
2004 Duan X, Song G, Li Z, Wang X, Chen G, Fan K. Accurate prediction of heat of formation by combining Hartree-Fock'density functional theory calculation with linear regression correction approach Journal of Chemical Physics. 121: 7086-7095. PMID 15473774 DOI: 10.1063/1.1786582  0.37
2004 Zheng X, Chen G, Li Z, Deng S, Xu N. Quantum-mechanical investigation of field-emission mechanism of a micrometer-long single-walled carbon nanotube. Physical Review Letters. 92: 106803. PMID 15089226 DOI: 10.1103/Physrevlett.92.106803  0.31
2004 Wang X, Hu L, Wong L, Chen G. A Combined First-principles Calculation and Neural Networks Correction Approach for Evaluating Gibbs Energy of Formation Molecular Simulation. 30: 9-15. DOI: 10.1080/08927020310001631098  0.343
2004 Yam C, Ma C, Wang X, Chen G. Electronic structure and charge distribution of potassium iodide intercalated single-walled carbon nanotubes Applied Physics Letters. 85: 4484-4486. DOI: 10.1063/1.1819510  0.346
2004 Yan L, Su Z, Guan W, Zhang M, Chen G, Xu L, Wang E. Why Does Disubstituted Hexamolybdate with Arylimido Prefer to Form an Orthogonal Derivative? Analysis of Stability, Bonding Character, and Electronic Properties on Molybdate Derivatives by Density Functional Theory (DFT) Study Journal of Physical Chemistry B. 108: 17337-17343. DOI: 10.1021/Jp0478256  0.315
2004 Wang X, Wong L, Hu L, Chan C, Su Z, Chen G. Improving the Accuracy of Density-Functional Theory Calculation: The Statistical Correction Approach Journal of Physical Chemistry A. 108: 8514-8525. DOI: 10.1021/Jp047263Q  0.342
2003 Yam CY, Yokojima S, Chen G. Linear-scaling time-dependent density-functional theory Physical Review B. 68: 153105. DOI: 10.1103/Physrevb.68.153105  0.378
2003 Hu LH, Wang XJ, Wong LH, Chen GH. Combined first-principles calculation and neural-network correction approach for heat of formation Journal of Chemical Physics. 119: 11501-11507. DOI: 10.1063/1.1630951  0.326
2003 Yam CY, Yokojima S, Chen G. Localized-density-matrix implementation of time-dependent density-functional theory Journal of Chemical Physics. 119: 8794-8803. DOI: 10.1063/1.1613634  0.402
2002 Liang W, Chen G, Li Z, Tang Z. Absorption spectra and chirality of single-walled 4 Å carbon nanotubes Applied Physics Letters. 80: 3415-3417. DOI: 10.1063/1.1478155  0.307
2002 Yokojima S, Chen G. Excitation and dissipation of interacting many-electron system Chemical Physics Letters. 355: 400-404. DOI: 10.1016/S0009-2614(02)00251-8  0.362
2000 Chen G, Yokojima S, Liang W, Wang X. Localized-density-matrix method and its application to nanomaterials Pure and Applied Chemistry. 72: 281-291. DOI: 10.1351/Pac200072010281  0.378
2000 Liang W, Yokojima S, Chen G. Localized-density-matrix method and nonlinear optical response Journal of Chemical Physics. 113: 1403-1408. DOI: 10.1063/1.481930  0.349
2000 Liang W, Yokojima S, Zhou D, Chen G. Localized-Density-Matrix Method and Its Application to Carbon Nanotubes Journal of Physical Chemistry A. 104: 2445-2453. DOI: 10.1021/Jp990818A  0.364
2000 Liang W, Wang XJ, Yokojima aS, Chen G. Electronic Structures and Optical Properties of Open and Capped Carbon Nanotubes Journal of the American Chemical Society. 122: 11129-11137. DOI: 10.1021/Ja000469U  0.322
1999 Yokojima S, Chen G. Linear scaling calculation of excited-state properties of polyacetylene Physical Review B. 59: 7259-7262. DOI: 10.1103/Physrevb.59.7259  0.38
1999 Yokojima S, Wang X, Zhou D, Chen G. Localized-density-matrix, segment-molecular-orbitals and poly(p-phenylenevinylene) aggregates Journal of Chemical Physics. 111: 10444-10451. DOI: 10.1063/1.480432  0.315
1999 Liang W, Yokojima S, Chen G. Generalized linear-scaling localized-density-matrix method Journal of Chemical Physics. 110: 1844-1855. DOI: 10.1063/1.477872  0.382
1999 Su Z, Liang W, Chen G. Ground-state reduced density matrices, effective Hamiltonians, and optical properties of Schiff bases of retinal Chemical Physics. 247: 185-192. DOI: 10.1016/S0301-0104(99)00194-9  0.344
1999 Yokojima S, Zhou D, Chen G. Linear-scaling computation of ground state with time-domain localized-density-matrix method Chemical Physics Letters. 302: 495-498. DOI: 10.1016/S0009-2614(99)00167-0  0.372
1999 Yokojima S, Chen G. Linear-scaling localized-density-matrix method for the ground and excited states of one-dimensional molecular systems Chemical Physics Letters. 300: 540-544. DOI: 10.1016/S0009-2614(98)01444-4  0.341
1998 Yokojima S, Chen G. Time domain localized-density-matrix method Chemical Physics Letters. 292: 379-383. DOI: 10.1016/S0009-2614(98)00712-X  0.37
1996 Chen G, Mukamel S. Nonlinear Polarizabilities of Donor−Acceptor Substituted Conjugated Polyenes The Journal of Physical Chemistry. 100: 11080-11085. DOI: 10.1021/Jp9602235  0.348
1996 Chen G, Mukamel S. Effective Hamiltonian for conjugated polyenes based on the ground state single-electron density matrix Chemical Physics Letters. 258: 589-594. DOI: 10.1016/0009-2614(96)00693-8  0.361
1995 Chen G, Mukamel S. Reduced electronic density matrices, effective Hamiltonians, and nonlinear susceptibilities of conjugated polyenes The Journal of Chemical Physics. 103: 9355-9362. DOI: 10.1063/1.469995  0.361
1995 Chen G, Mukamel S. Nonlinear Susceptibilities of Donor-Acceptor Conjugated Systems: Coupled-Oscillator Representation Journal of the American Chemical Society. 117: 4945-4964. DOI: 10.1021/Ja00122A027  0.337
1994 Chen G, Klimeck G, Datta S, Chen G, Goddard WA. Resonant Tunneling Through Quantum Dot Arrays Physical Review B. 50: 8035-8038. PMID 9974804 DOI: 10.1103/Physrevb.50.8035  0.463
1994 Lu D, Chen G, Goddard WA. The valence-bond charge-transfer-exciton model for predicting nonlinear optical properties (hyperpolarizabilities and saturation length) of polymeric materials Journal of Chemical Physics. 101: 4920-4930. DOI: 10.1063/1.467414  0.44
1994 Chen G, Lu D, Goddard WA. Valence-Bond Charge-Transfer Solvation Model For Nonlinear Optical Properties Of Organic Molecules In Polar Solvents Journal of Chemical Physics. 101: 5860-5864. DOI: 10.1063/1.467302  0.429
1994 Lu D, Chen G, Perry JW, Goddard WA. Valence-Bond Charge-Transfer Model for Nonlinear Optical Properties of Charge-Transfer Organic Molecules Journal of the American Chemical Society. 116: 10679-10685. DOI: 10.1021/Ja00102A037  0.414
1993 Chen G, Goddard WA. Mechanism of superconductivity in K3C60. Proceedings of the National Academy of Sciences of the United States of America. 90: 1350-1353. PMID 11607367 DOI: 10.1073/Pnas.90.4.1350  0.432
1992 Chen G, Ding HQ, Goddard WA. Elementary Excitations For The Two-Dimensional Quantum Heisenberg Antiferromagnet Physical Review B. 46: 2933-2938. PMID 10003986 DOI: 10.1103/Physrevb.46.2933  0.382
1989 Chen G, Langlois JM, Guo Y, Goddard WA. Response: magnon-exchange pairing and superconductivity. Science (New York, N.Y.). 243: 547-8. PMID 17799188 DOI: 10.1126/Science.243.4890.547-A  0.398
1989 Chen G, Langlois JM, Guo Y, Goddard WA. Superconducting properties of copper oxide high-temperature superconductors. Proceedings of the National Academy of Sciences of the United States of America. 86: 3447-51. PMID 16594038 DOI: 10.1073/Pnas.86.10.3447  0.409
1988 Chen G, Goddard WA. The magnon pairing mechanism of superconductivity in cuprate ceramics. Science. 239: 899-902. PMID 17759036 DOI: 10.1126/Science.239.4842.899  0.382
Show low-probability matches.