Shiwei Zhang - Publications

Affiliations: 
College of William and Mary, Williamsburg, VA 
Area:
Atomic Physics, Condensed Matter Physics

55 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
2020 Rudshteyn B, Coskun D, Weber JL, Arthur EJ, Zhang S, Reichman DR, Friesner RA, Shee J. Predicting Ligand-Dissociation Energies of 3 Coordination Complexes with Auxiliary-Field Quantum Monte Carlo. Journal of Chemical Theory and Computation. PMID 32293882 DOI: 10.1021/Acs.Jctc.0C00070  0.88
2020 Motta M, Genovese C, Ma F, Cui Z, Sawaya R, Chan GK, Chepiga N, Helms P, Jiménez-Hoyos C, Millis AJ, Ray U, Ronca E, Shi H, Sorella S, Stoudenmire EM, ... ... Zhang S, et al. Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases Physical Review X. 10. DOI: 10.1103/Physrevx.10.031058  0.44
2019 Shee J, Arthur EJ, Zhang S, Reichman DR, Friesner RA. Singlet-Triplet Energy Gaps of Organic Biradicals and Polyacenes with Auxiliary-Field Quantum Monte Carlo. Journal of Chemical Theory and Computation. PMID 31381324 DOI: 10.1021/Acs.Jctc.9B00534  0.88
2019 Eskridge B, Krakauer H, Zhang S. Local Embedding and Effective Downfolding in the Auxiliary-Field Quantum Monte Carlo Method. Journal of Chemical Theory and Computation. PMID 31244125 DOI: 10.1021/Acs.Jctc.8B01244  0.64
2019 Motta M, Shee J, Zhang S, Chan GK. Efficient ab initio auxiliary-field quantum Monte Carlo calculations in Gaussian bases via low-rank tensor decomposition. Journal of Chemical Theory and Computation. PMID 31091103 DOI: 10.1021/Acs.Jctc.8B00996  0.36
2019 Shee J, Rudshteyn B, Arthur EJ, Zhang S, Reichman DR, Friesner RA. On Achieving High Accuracy in Quantum Chemical Calculations of 3d Transition Metal-containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules. Journal of Chemical Theory and Computation. PMID 30883110 DOI: 10.1021/Acs.Jctc.9B00083  0.88
2018 Shee J, Arthur EJ, Zhang S, Reichman DR, Friesner RA. Phaseless Auxiliary-Field Quantum Monte Carlo on Graphical Processing Units. Journal of Chemical Theory and Computation. PMID 29897748 DOI: 10.1021/Acs.Jctc.8B00342  0.88
2017 Shee J, Zhang S, Reichman DR, Friesner RA. Chemical Transformations Approaching Chemical Accuracy via Correlated Sampling in Auxiliary-Field Quantum Monte Carlo. Journal of Chemical Theory and Computation. PMID 28481546 DOI: 10.1021/Acs.Jctc.7B00224  0.88
2017 Motta M, Ceperley DM, Chan GK, Gomez JA, Gull E, Guo S, Jiménez-Hoyos CA, Lan TN, Li J, Ma F, Millis AJ, Prokof’ev NV, Ray U, Scuseria GE, Sorella S, ... ... Zhang S, et al. Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods Physical Review X. 7: 31059. DOI: 10.1103/Physrevx.7.031059  0.44
2017 Gitgeatpong G, Suewattana M, Zhang S, Miyake A, Tokunaga M, Chanlert P, Kurita N, Tanaka H, Sato TJ, Zhao Y, Matan K. High-Field Magnetization and Magnetic Phase Diagram of α-Cu2V2O7 | NIST Physical Review B. 95. DOI: 10.1103/Physrevb.95.245119  0.48
2017 Ma F, Zhang S, Krakauer H. Auxiliary-field quantum Monte Carlo calculations with multiple-projector pseudopotentials Physical Review B. 95: 165103. DOI: 10.1103/Physrevb.95.165103  0.64
2016 Purwanto W, Zhang S, Krakauer H. Auxiliary-field quantum Monte Carlo calculations of the molybdenum dimer. The Journal of Chemical Physics. 144: 244306. PMID 27369514 DOI: 10.1063/1.4954245  0.88
2016 Vitali E, Shi H, Qin M, Zhang S. Computation of dynamical correlation functions for many-fermion systems with auxiliary-field quantum Monte Carlo Physical Review B - Condensed Matter and Materials Physics. 94. DOI: 10.1103/Physrevb.94.085140  0.88
2016 Qin M, Shi H, Zhang S. Benchmark study of the two-dimensional Hubbard model with auxiliary-field quantum Monte Carlo method Physical Review B - Condensed Matter and Materials Physics. 94. DOI: 10.1103/Physrevb.94.085103  0.88
2015 Zhai R, Wang Z, Zhang S, Meng G, Song L, Wang Z, Li P, Ma F, Xu L. Two MYB transcription factors regulate flavonoid biosynthesis in pear fruit (Pyrus bretschneideri Rehd.). Journal of Experimental Botany. PMID 26687179 DOI: 10.1093/jxb/erv524  0.44
2015 Ma F, Purwanto W, Zhang S, Krakauer H. Quantum Monte Carlo Calculations in Solids with Downfolded Hamiltonians. Physical Review Letters. 114: 226401. PMID 26196632 DOI: 10.1103/Physrevlett.114.226401  0.88
2015 Rosenberg P, Chiesa S, Zhang S. FFLO order in ultra-cold atoms in three-dimensional optical lattices. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 225601. PMID 25984657 DOI: 10.1088/0953-8984/27/22/225601  0.88
2015 Purwanto W, Zhang S, Krakauer H. An auxiliary-field quantum Monte Carlo study of the chromium dimer. The Journal of Chemical Physics. 142: 064302. PMID 25681901 DOI: 10.1063/1.4906829  0.88
2015 Shi H, Chiesa S, Zhang S. Ground-state properties of strongly interacting Fermi gases in two dimensions Physical Review a - Atomic, Molecular, and Optical Physics. 92. DOI: 10.1103/Physreva.92.033603  0.88
2014 Virgus Y, Purwanto W, Krakauer H, Zhang S. Stability, energetics, and magnetic states of cobalt adatoms on graphene. Physical Review Letters. 113: 175502. PMID 25379922 DOI: 10.1103/Physrevlett.113.175502  0.88
2014 Liu X, Zhai R, Feng W, Zhang S, Wang Z, Qiu Z, Zhang J, Ma F, Xu L. Proteomic analysis of 'Zaosu' pear (Pyrus bretschneideri Rehd.) and its early-maturing bud sport. Plant Science : An International Journal of Experimental Plant Biology. 224: 120-35. PMID 24908513 DOI: 10.1016/j.plantsci.2014.04.012  0.44
2014 Shi H, Jiménez-Hoyos CA, Rodríguez-Guzmán R, Scuseria GE, Zhang S. Symmetry-projected wave functions in quantum Monte Carlo calculations Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.125129  0.88
2013 Purwanto W, Zhang S, Krakauer H. Frozen-Orbital and Downfolding Calculations with Auxiliary-Field Quantum Monte Carlo. Journal of Chemical Theory and Computation. 9: 4825-33. PMID 26583401 DOI: 10.1021/Ct4006486  0.88
2013 Xu J, Chiesa S, Walter EJ, Zhang S. Magnetic order in the Hubbard model in three dimensions and the crossover to two dimensions. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 415602. PMID 24047878 DOI: 10.1088/0953-8984/25/41/415602  0.88
2013 Chiesa S, Zhang S. Phases of attractive spin-imbalanced fermions in square lattices Physical Review a - Atomic, Molecular, and Optical Physics. 88. DOI: 10.1103/Physreva.88.043624  0.88
2013 Ma F, Zhang S, Krakauer H. Excited state calculations in solids by auxiliary-field quantum Monte Carlo New Journal of Physics. 15. DOI: 10.1088/1367-2630/15/9/093017  0.88
2012 Virgus Y, Purwanto W, Krakauer H, Zhang S. Ab initio many-body study of cobalt adatoms adsorbed on graphene Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.241406  0.88
2012 Rubenstein BM, Zhang S, Reichman DR. Finite-temperature auxiliary-field quantum Monte Carlo technique for Bose-Fermi mixtures Physical Review a - Atomic, Molecular, and Optical Physics. 86. DOI: 10.1103/Physreva.86.053606  0.88
2011 Xu J, Chang CC, Walter EJ, Zhang S. Spin- and charge-density waves in the Hartree-Fock ground state of the two-dimensional Hubbard model. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 23: 505601. PMID 22127010 DOI: 10.1088/0953-8984/23/50/505601  0.88
2011 Purwanto W, Krakauer H, Virgus Y, Zhang S. Assessing weak hydrogen binding on Ca+ centers: an accurate many-body study with large basis sets. The Journal of Chemical Physics. 135: 164105. PMID 22047226 DOI: 10.1063/1.3654002  0.88
2011 Ma F, Zhang S, Krakauer H. Finite-size correction in many-body electronic structure calculations of magnetic systems Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.155130  0.88
2011 Carlson J, Gandolfi S, Schmidt KE, Zhang S. Auxiliary-field quantum Monte Carlo method for strongly paired fermions Physical Review a - Atomic, Molecular, and Optical Physics. 84. DOI: 10.1103/Physreva.84.061602  0.88
2011 Zhou SQ, Ceperley DM, Zhang S. Validity of the scattering-length approximation in strongly interacting Fermi systems Physical Review a - Atomic, Molecular, and Optical Physics. 84. DOI: 10.1103/Physreva.84.013625  0.88
2010 Chang CC, Zhang S, Ceperley DM. Itinerant ferromagnetism in a Fermi gas with contact interaction: Magnetic properties in a dilute Hubbard model Physical Review a - Atomic, Molecular, and Optical Physics. 82. DOI: 10.1103/Physreva.82.061603  0.88
2009 Purwanto W, Zhang S, Krakauer H. Excited state calculations using phaseless auxiliary-field quantum Monte Carlo: Potential energy curves of low-lying C(2) singlet states. The Journal of Chemical Physics. 130: 094107. PMID 19275396 DOI: 10.1063/1.3077920  0.88
2009 Purwanto W, Krakauer H, Zhang S. Pressure-induced diamond to β -tin transition in bulk silicon: A quantum Monte Carlo study Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.214116  0.88
2008 Kwee H, Zhang S, Krakauer H. Finite-size correction in many-body electronic structure calculations. Physical Review Letters. 100: 126404. PMID 18517892 DOI: 10.1103/Physrevlett.100.126404  0.88
2008 Purwanto W, Al-Saidi WA, Krakauer H, Zhang S. Eliminating spin contamination in auxiliary-field quantum Monte Carlo: realistic potential energy curve of F(2). The Journal of Chemical Physics. 128: 114309. PMID 18361573 DOI: 10.1063/1.2838983  0.88
2008 Esler KP, Kim J, Ceperley DM, Purwanto W, Walter EJ, Krakauer H, Zhang S, Kent PRC, Hennig G, Umrigar C, Bajdich M, Koloren? J, Mitas L, Srinivasan A. Quantum Monte Carlo algorithms for electronic structure at the petascale; The Endstation project Journal of Physics: Conference Series. 125. DOI: 10.1088/1742-6596/125/1/012057  0.88
2007 Al-Saidi WA, Zhang S, Krakauer H. Bond breaking with auxiliary-field quantum Monte Carlo. The Journal of Chemical Physics. 127: 144101. PMID 17935380 DOI: 10.1063/1.2770707  0.88
2007 Al-Saidi WA, Krakauer H, Zhang S. A study of H+H2 and several H-bonded molecules by phaseless auxiliary-field quantum Monte Carlo with plane wave and Gaussian basis sets. The Journal of Chemical Physics. 126: 194105. PMID 17523796 DOI: 10.1063/1.2735296  0.88
2007 Suewattana M, Purwanto W, Zhang S, Krakauer H, Walter EJ. Phaseless auxiliary-field quantum Monte Carlo calculations with plane waves and pseudopotentials: Applications to atoms and molecules Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.245123  0.88
2006 Al-Saidi WA, Krakauer H, Zhang S. Auxiliary-field quantum Monte Carlo study of first- and second-row post-d elements. The Journal of Chemical Physics. 125: 154110. PMID 17059242 DOI: 10.1063/1.2357917  0.88
2006 Al-Saidi WA, Zhang S, Krakauer H. Auxiliary-field quantum Monte Carlo calculations of molecular systems with a Gaussian basis. The Journal of Chemical Physics. 124: 224101. PMID 16784257 DOI: 10.1063/1.2200885  0.88
2006 Al-Saidi WA, Krakauer H, Zhang S. Auxiliary-field quantum Monte Carlo study of TiO and MnO molecules Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.075103  0.88
2005 Suewattana M, Krakauer H, Zhang S. Kinetic Monte Carlo simulations of crystal growth in ferroelectric alloys Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.224101  0.88
2005 Zhang S, Krakauer H, Al-Saidi WA, Suewattana M. Quantum simulations of realistic systems by auxiliary fields Computer Physics Communications. 169: 394-399. DOI: 10.1016/J.Cpc.2005.03.087  0.88
2004 Purwanto W, Zhang S. Quantum Monte Carlo method for the ground state of many-boson systems. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 70: 056702. PMID 15600791 DOI: 10.1103/Physreve.70.056702  1
2003 Zhang S, Krakauer H. Quantum Monte Carlo method using phase-free random walks with slater determinants. Physical Review Letters. 90: 136401. PMID 12689312 DOI: 10.1103/Physrevlett.90.136401  0.88
2000 Zhang S, Carlson J, Gubernatis JE. Pairing Correlations in the Two-Dimensional Hubbard Model [Phys. Rev. Lett. 78, 4486 (1997)] Physical Review Letters. 84: 2550-2550. DOI: 10.1103/Physrevlett.84.2550  0.6
2000 Shenoy VB, Zhang S, Saam WF. Step-bunching transitions on vicinal surfaces with attractive step interactions Surface Science. 467: 58-84. DOI: 10.1016/S0039-6028(00)00664-6  0.88
2000 Zhang S. Finite-temperature calculations of correlated electron systems Computer Physics Communications. 127: 150-155. DOI: 10.1016/S0010-4655(00)00029-1  0.88
1999 Carlson J, Gubernatis JE, Ortiz G, Zhang S. Issues And Observations On Applications Of The Constrained-Path Monte Carlo Method To Many-Fermion Systems Physical Review B. 59: 12788-12798. DOI: 10.1103/Physrevb.59.12788  0.6
1998 Guerrero M, Gubernatis JE, Zhang S. Quantum Monte Carlo study of hole binding and pairing correlations in the three-band Hubbard model Physical Review B. 57: 11980-11988. DOI: 10.1103/Physrevb.57.11980  0.6
1997 Zhang S, Carlson J, Gubernatis JE. Constrained path Monte Carlo method for fermion ground states Physical Review B. 55: 7464-7477. DOI: 10.1103/Physrevb.55.7464  0.6
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