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Cyrus Umrigar, PhD - Publications

Affiliations: 
Physics Cornell University, Ithaca, NY, United States 
Area:
Quantum Monte Carlo, Electronic Structure Theory
Website:
http://www.physics.cornell.edu/people/faculty/?page=website/faculty&action=show/id=48

38 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 Yao Y, Giner E, Li J, Toulouse J, Umrigar CJ. Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method. The Journal of Chemical Physics. 153: 124117. PMID 33003731 DOI: 10.1063/5.0018577  0.68
2018 Li J, Otten M, Holmes AA, Sharma S, Umrigar CJ. Fast semistochastic heat-bath configuration interaction. The Journal of Chemical Physics. 149: 214110. PMID 30525735 DOI: 10.1063/1.5055390  0.64
2018 Chien AD, Holmes AA, Otten M, Umrigar CJ, Sharma S, Zimmerman PM. Excited States of Methylene, Polyenes, and Ozone from Heat-Bath Configuration Interaction. The Journal of Physical Chemistry. A. PMID 29473750 DOI: 10.1021/Acs.Jpca.8B01554  0.64
2017 Holmes AA, Umrigar CJ, Sharma S. Excited states using semistochastic heat-bath configuration interaction. The Journal of Chemical Physics. 147: 164111. PMID 29096501 DOI: 10.1063/1.4998614  0.64
2017 Sharma S, Holmes AA, Jeanmairet G, Alavi A, Umrigar CJ. Semistochastic Heat-bath Configuration Interaction method: selected configuration interaction with semistochastic perturbation theory. Journal of Chemical Theory and Computation. PMID 28263594 DOI: 10.1021/Acs.Jctc.6B01028  0.64
2016 Holmes AA, Changlani HJ, Umrigar CJ. Efficient Heat-Bath Sampling in Fock Space. Journal of Chemical Theory and Computation. PMID 26959242 DOI: 10.1021/Acs.Jctc.5B01170  0.64
2015 Parker WD, Umrigar CJ, Alfè D, Petruzielo FR, Hennig RG, Wilkins JW. Comparison of polynomial approximations to speed up planewave-based quantum Monte Carlo calculations Journal of Computational Physics. 287: 77-87. DOI: 10.1016/J.Jcp.2015.01.037  0.68
2015 Toulouse J, Assaraf R, Umrigar CJ. Introduction to the Variational and Diffusion Monte Carlo Methods Advances in Quantum Chemistry. DOI: 10.1016/Bs.Aiq.2015.07.003  0.68
2014 Sharma S, Yanai T, Booth GH, Umrigar CJ, Chan GK. Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimer. The Journal of Chemical Physics. 140: 104112. PMID 24628157 DOI: 10.1063/1.4867383  0.68
2013 Mehta AC, Umrigar CJ, Meyer JS, Baranger HU. Zigzag phase transition in quantum wires. Physical Review Letters. 110: 246802. PMID 25165952 DOI: 10.1103/Physrevlett.110.246802  0.68
2012 Petruzielo FR, Holmes AA, Changlani HJ, Nightingale MP, Umrigar CJ. Semistochastic projector Monte Carlo method. Physical Review Letters. 109: 230201. PMID 23368167 DOI: 10.1103/Physrevlett.109.230201  0.64
2012 Petruzielo FR, Toulouse J, Umrigar CJ. Approaching chemical accuracy with quantum Monte Carlo. The Journal of Chemical Physics. 136: 124116. PMID 22462844 DOI: 10.1063/1.3697846  0.68
2012 Petruzielo FR, Holmes AA, Changlani HJ, Nightingale MP, Umrigar CJ. Semistochastic projector monte carlo method Physical Review Letters. 109. DOI: 10.1103/PhysRevLett.109.230201  0.68
2012 Reinhardt P, Toulouse J, Assaraf R, Umrigar CJ, Hoggan PE. Quantum monte carlo facing the hartree-fock symmetry dilemma: The case of hydrogen rings Acs Symposium Series. 1094: 53-63. DOI: 10.1021/bk-2012-1094.ch005  0.68
2011 Braïda B, Toulouse J, Caffarel M, Umrigar CJ. Quantum Monte Carlo with Jastrow-valence-bond wave functions. The Journal of Chemical Physics. 134: 084108. PMID 21361528 DOI: 10.1063/1.3555821  0.68
2011 Petruzielo FR, Toulouse J, Umrigar CJ. Basis set construction for molecular electronic structure theory: natural orbital and Gauss-Slater basis for smooth pseudopotentials. The Journal of Chemical Physics. 134: 064104. PMID 21322658 DOI: 10.1063/1.3551512  0.68
2010 Petruzielo FR, Toulouse J, Umrigar CJ. Compact and flexible basis functions for quantum Monte Carlo calculations. The Journal of Chemical Physics. 132: 094109. PMID 20210391 DOI: 10.1063/1.3342062  0.68
2009 Zimmerman PM, Toulouse J, Zhang Z, Musgrave CB, Umrigar CJ. Excited states of methylene from quantum Monte Carlo. The Journal of Chemical Physics. 131: 124103. PMID 19791848 DOI: 10.1063/1.3220671  0.68
2009 Changlani HJ, Kinder JM, Umrigar CJ, Chan GKL. Approximating strongly correlated wave functions with correlator product states Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.245116  0.68
2009 Güçlü AD, Umrigar CJ, Jiang H, Baranger HU. Localization in an inhomogeneous quantum wire Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.201302  0.44
2008 Toulouse J, Umrigar CJ. Full optimization of Jastrow-Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules. The Journal of Chemical Physics. 128: 174101. PMID 18465904 DOI: 10.1063/1.2908237  0.68
2008 Al-Saidi WA, Umrigar CJ. Fixed-node diffusion Monte Carlo study of the structures of m-benzyne. The Journal of Chemical Physics. 128: 154324. PMID 18433226 DOI: 10.1063/1.2902979  0.68
2008 Güçlü AD, Ghosal A, Umrigar CJ, Baranger HU. Interaction-induced strong localization in quantum dots Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.041301  0.68
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  0.68
2008 Lawson JW, Bauschlicher CW, Toulouse J, Filippi C, Umrigar CJ. Quantum Monte Carlo study of the cooperative binding of NO2 to fragment models of carbon nanotubes Chemical Physics Letters. 466: 170-175. DOI: 10.1016/J.Cplett.2008.10.066  0.68
2007 Toulouse J, Assaraf R, Umrigar CJ. Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density. The Journal of Chemical Physics. 126: 244112. PMID 17614542 DOI: 10.1063/1.2746029  0.68
2007 Umrigar CJ, Toulouse J, Filippi C, Sorella S, Hennig RG. Alleviation of the Fermion-sign problem by optimization of many-body wave functions. Physical Review Letters. 98: 110201. PMID 17501026 DOI: 10.1103/Physrevlett.98.110201  0.68
2007 Toulouse J, Umrigar CJ. Optimization of quantum Monte Carlo wave functions by energy minimization. The Journal of Chemical Physics. 126: 084102. PMID 17343435 DOI: 10.1063/1.2437215  0.68
2007 Ghosal A, Güçlü AD, Umrigar CJ, Ullmo D, Baranger HU. Incipient Wigner localization in circular quantum dots Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.085341  0.68
2007 Hellmann W, Hennig RG, Goedecker S, Umrigar CJ, Delley B, Lenosky T. Questioning the existence of a unique ground-state structure for Si clusters Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.085411  0.68
2006 Batista ER, Heyd J, Hennig RG, Uberuaga BP, Martin RL, Scuseria GE, Umrigar CJ, Wilkins JW. Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.121102  0.68
2006 Edwards AH, Pineda AC, Schultz PA, Martin MG, Thompson AP, Hjalmarson HP, Umrigar CJ. Electronic structure of intrinsic defects in crystalline germanium telluride Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.045210  0.68
2006 Ghosal A, Güçlü AD, Umrigar CJ, Ullmo D, Baranger HU. Correlation-induced inhomogeneity in circular quantum dots Nature Physics. 2: 336-340. DOI: 10.1038/Nphys293  0.44
2005 Ghosal A, Umrigar CJ, Jiang H, Ullmo D, Baranger HU. Interaction effects in the mesoscopic regime: A quantum Monte Carlo study of irregular quantum dots Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.241306  0.44
1995 Cioslowski J, Stefanov BB, Tan A, Umrigar CJ. Electron intracule densities with correct electron coalescence cusps from Hiller-Sucher-Feinberg-type identities The Journal of Chemical Physics. 103: 6093-6103.  0.68
1988 Umrigar CJ, Wilson KG, Wilkins JW. Optimized trial wave functions for quantum Monte Carlo calculations. Physical Review Letters. 60: 1719-1722. PMID 10038122 DOI: 10.1103/Physrevlett.60.1719  0.56
1986 Pindor AJ, Vosko SH, Umrigar CJ. Calculated against experimental charge density distribution of Be metal Journal of Physics F: Metal Physics. 16: 1207-1212. DOI: 10.1088/0305-4608/16/9/012  0.68
1985 Umrigar C, Wilkins JW. Adsorption site, adsorption energy and normal vibration frequency of H on Ni(100) via total-energy calculations. Physical Review Letters. 54: 1551-1554. PMID 10031068 DOI: 10.1103/Physrevlett.54.1551  0.56
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