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Rafal Podeszwa - Publications

Affiliations: 
Department of Physics and Astronomy University of Delaware, Newark, DE, United States 
Area:
Molecular Physics, Quantum Physics, Theory Physics
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43 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 Garcia J, Podeszwa R, Szalewicz K. SAPT codes for calculations of intermolecular interaction energies. The Journal of Chemical Physics. 152: 184109. PMID 32414261 DOI: 10.1063/5.0005093  0.481
2019 Podeszwa R, Jankiewicz W, Krzuś M, Witek HA. Correcting long-range electrostatics in DFTB. The Journal of Chemical Physics. 150: 234110. PMID 31228904 DOI: 10.1063/1.5099694  0.377
2018 Jankiewicz W, Podeszwa R, Witek HA. Dispersion-corrected DFT struggles with predicting three-body interaction energies. Journal of Chemical Theory and Computation. PMID 30188704 DOI: 10.1021/Acs.Jctc.8B00167  0.461
2016 Taylor DE, Ángyán JG, Galli G, Zhang C, Gygi F, Hirao K, Song JW, Rahul K, Anatole von Lilienfeld O, Podeszwa R, Bulik IW, Henderson TM, Scuseria GE, Toulouse J, Peverati R, et al. Blind test of density-functional-based methods on intermolecular interaction energies. The Journal of Chemical Physics. 145: 124105. PMID 27782652 DOI: 10.1063/1.4961095  0.495
2016 Reilly AM, Cooper RI, Adjiman CS, Bhattacharya S, Boese AD, Brandenburg JG, Bygrave PJ, Bylsma R, Campbell JE, Car R, Case DH, Chadha R, Cole JC, Cosburn K, Cuppen HM, ... ... Podeszwa R, et al. Report on the sixth blind test of organic crystal structure prediction methods. Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials. 72: 439-59. PMID 27484368 DOI: 10.1107/S2052520616007447  0.344
2014 van der Avoird A, Podeszwa R, Ensing B, Szalewicz K. Comment on "Communication: Benzene dimer--the free energy landscape" [J. Chem. Phys. 139, 201102 (2013)]. The Journal of Chemical Physics. 140: 227101. PMID 24929416 DOI: 10.1063/1.4882015  0.366
2014 Góra U, Cencek W, Podeszwa R, van der Avoird A, Szalewicz K. Predictions for water clusters from a first-principles two- and three-body force field. The Journal of Chemical Physics. 140: 194101. PMID 24852524 DOI: 10.1063/1.4875097  0.385
2014 Kennedy MR, McDonald AR, DePrince AE, Marshall MS, Podeszwa R, Sherrill CD. Communication: resolving the three-body contribution to the lattice energy of crystalline benzene: benchmark results from coupled-cluster theory. The Journal of Chemical Physics. 140: 121104. PMID 24697416 DOI: 10.1063/1.4869686  0.447
2014 Rob F, Misquitta AJ, Podeszwa R, Szalewicz K. Localized overlap algorithm for unexpanded dispersion energies. The Journal of Chemical Physics. 140: 114304. PMID 24655177 DOI: 10.1063/1.4867969  0.45
2012 Podeszwa R, Cencek W, Szalewicz K. Efficient Calculations of Dispersion Energies for Nanoscale Systems from Coupled Density Response Functions. Journal of Chemical Theory and Computation. 8: 1963-9. PMID 26593831 DOI: 10.1021/Ct300200M  0.467
2012 Podeszwa R, Szalewicz K. Communication: Density functional theory overcomes the failure of predicting intermolecular interaction energies. The Journal of Chemical Physics. 136: 161102. PMID 22559463 DOI: 10.1063/1.4707166  0.493
2011 Góra U, Podeszwa R, Cencek W, Szalewicz K. Interaction energies of large clusters from many-body expansion. The Journal of Chemical Physics. 135: 224102. PMID 22168675 DOI: 10.1063/1.3664730  0.422
2011 Taylor DE, Rob F, Rice BM, Podeszwa R, Szalewicz K. A molecular dynamics study of 1,1-diamino-2,2-dinitroethylene (FOX-7) crystal using a symmetry adapted perturbation theory-based intermolecular force field. Physical Chemistry Chemical Physics : Pccp. 13: 16629-36. PMID 21860866 DOI: 10.1039/C1Cp21342C  0.472
2011 Cencek W, Rob F, Szalewicz K, Podeszwa R, Rice BM, Taylor D. Dispersion interactions in calculations of properties of energetic materials Proceedings - 2010 Dod High Performance Computing Modernization Program Users Group Conference, Hpcmp Ugc 2010. 208-212. DOI: 10.1109/HPCMP-UGC.2010.16  0.5
2010 van der Avoird A, Podeszwa R, Szalewicz K, Leforestier C, van Harrevelt R, Bunker PR, Schnell M, von Helden G, Meijer G. Vibration-rotation-tunneling states of the benzene dimer: an ab initio study. Physical Chemistry Chemical Physics : Pccp. 12: 8219-40. PMID 20485846 DOI: 10.1039/C002653K  0.451
2010 Podeszwa R, Patkowski K, Szalewicz K. Improved interaction energy benchmarks for dimers of biological relevance. Physical Chemistry Chemical Physics : Pccp. 12: 5974-9. PMID 20449509 DOI: 10.1039/B926808A  0.441
2010 Podeszwa R. Interactions of graphene sheets deduced from properties of polycyclic aromatic hydrocarbons. The Journal of Chemical Physics. 132: 044704. PMID 20113056 DOI: 10.1063/1.3300064  0.364
2010 Podeszwa R. Interactions of graphene sheets deduced from properties of polycyclic aromatic hydrocarbons. The Journal of Chemical Physics. 132: 044704. PMID 20113056 DOI: 10.1063/1.3300064  0.364
2010 Janssen LMC, Groenenboom GC, Van Der Avoird A, Uchowski PS, Podeszwa R. Publisher's note: Ab initio potential energy surfaces for NH( 3∑-)-NH(3∑-) with analytical long range (Journal of Chemical Physics (2009) 131 (224314)) Journal of Chemical Physics. 132. DOI: 10.1063/1.3291983  0.37
2010 Podeszwa R, Pernal K, Patkowski K, Szalewicz K. Extension of the Hartree-Fock plus dispersion method by first-order correlation effects Journal of Physical Chemistry Letters. 1: 550-555. DOI: 10.1021/Jz9002444  0.486
2009 Pernal K, Podeszwa R, Patkowski K, Szalewicz K. Dispersionless density functional theory. Physical Review Letters. 103: 263201. PMID 20366310 DOI: 10.1103/Physrevlett.103.263201  0.527
2009 Janssen LM, Groenenboom GC, van der Avoird A, Zuchowski PS, Podeszwa R. Ab initio potential energy surfaces for NH((3)sigma(-))-NH((3)sigma(-)) with analytical long range. The Journal of Chemical Physics. 131: 224314. PMID 20001043 DOI: 10.1063/1.3268920  0.456
2009 Podeszwa R, Rice BM, Szalewicz K. Crystal structure prediction for cyclotrimethylene trinitramine (RDX) from first principles. Physical Chemistry Chemical Physics : Pccp. 11: 5512-8. PMID 19551222 DOI: 10.1039/B902015B  0.414
2008 Zuchowski PS, Podeszwa R, Moszyński R, Jeziorski B, Szalewicz K. Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes. The Journal of Chemical Physics. 129: 084101. PMID 19044812 DOI: 10.1063/1.2968556  0.435
2008 Podeszwa R, Rice BM, Szalewicz K. Predicting structure of molecular crystals from first principles. Physical Review Letters. 101: 115503. PMID 18851295 DOI: 10.1103/Physrevlett.101.115503  0.422
2008 Podeszwa R, Szalewicz K. Physical origins of interactions in dimers of polycyclic aromatic hydrocarbons. Physical Chemistry Chemical Physics : Pccp. 10: 2735-46. PMID 18464989 DOI: 10.1039/B719725J  0.456
2008 Podeszwa R, Rice BM, Rob F, Szalewicz K. Crystal structures from nonempirical force fields 2008 Proceedings of the Department of Defense High Performance Computing Modernization Program: Users Group Conference - Solving the Hard Problems. 187-190. DOI: 10.1109/DoD.HPCMP.UGC.2008.31  0.349
2008 Podeszwa R. Comment on "beyond the benzene dimer: An investigation of the additivity of π-π interactions" Journal of Physical Chemistry A. 112: 8884-8885. DOI: 10.1021/Jp803071F  0.339
2007 Patkowski K, Podeszwa R, Szalewicz K. Interactions in diatomic dimers involving closed-shell metals. The Journal of Physical Chemistry. A. 111: 12822-38. PMID 18020431 DOI: 10.1021/Jp076412C  0.512
2007 Podeszwa R, Bukowski R, Rice BM, Szalewicz K. Potential energy surface for cyclotrimethylene trinitramine dimer from symmetry-adapted perturbation theory. Physical Chemistry Chemical Physics : Pccp. 9: 5561-9. PMID 17957312 DOI: 10.1039/B709192C  0.538
2007 Podeszwa R, Szalewicz K. Three-body symmetry-adapted perturbation theory based on Kohn-Sham description of the monomers. The Journal of Chemical Physics. 126: 194101. PMID 17523792 DOI: 10.1063/1.2733648  0.508
2007 Podeszwa R, Szalewicz K, Rice BM, Bukowski R. Predictions of crystal structures from first principles Department of Defense - Proceedings of the Hpcmp Users Group Conference 2007; High Performance Computing Modernization Program: a Bridge to Future Defense, Dod Hpcmp Ugc. 216-221. DOI: 10.1109/HPCMP-UGC.2007.62  0.45
2007 Rob F, Podeszwa R, Szalewicz K. Electrostatic interaction energies with overlap effects from a localized approach Chemical Physics Letters. 445: 315-320. DOI: 10.1016/J.Cplett.2007.07.065  0.473
2006 Podeszwa R, Bukowski R, Szalewicz K. Density-Fitting Method in Symmetry-Adapted Perturbation Theory Based on Kohn-Sham Description of Monomers. Journal of Chemical Theory and Computation. 2: 400-12. PMID 26626527 DOI: 10.1021/Ct050304H  0.42
2006 Podeszwa R, Bukowski R, Szalewicz K. Potential energy surface for the benzene dimer and perturbational analysis of pi-pi interactions. The Journal of Physical Chemistry. A. 110: 10345-54. PMID 16928128 DOI: 10.1021/Jp064095O  0.516
2005 Misquitta AJ, Podeszwa R, Jeziorski B, Szalewicz K. Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations. The Journal of Chemical Physics. 123: 214103. PMID 16356035 DOI: 10.1063/1.2135288  0.558
2005 Podeszwa R, Stolarczyk LZ. Second-order electronic correlation effects in a one-dimensional metal Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.205114  0.308
2005 Bukowski R, Podeszwa R, Szalewicz K. Efficient calculation of coupled Kohn-Sham dynamic susceptibility functions and dispersion energies with density fitting Chemical Physics Letters. 414: 111-116. DOI: 10.1016/J.Cplett.2005.08.048  0.468
2005 Podeszwa R, Szalewicz K. Accurate interaction energies for argon, krypton, and benzene dimers from perturbation theory based on the Kohn-Sham model Chemical Physics Letters. 412: 488-493. DOI: 10.1016/J.Cplett.2005.07.029  0.505
2004 Hirata S, Podeszwa R, Tobita M, Bartlett RJ. Coupled-cluster singles and doubles for extended systems. The Journal of Chemical Physics. 120: 2581-92. PMID 15268402 DOI: 10.1063/1.1637577  0.396
2003 Podeszwa R, Bartlett RJ. Crystal Orbital Study of Polycarbonyl International Journal of Quantum Chemistry. 95: 638-642. DOI: 10.1002/Qua.10655  0.458
2002 Podeszwa R, Kucharski SA, Stolarczyk LZ. Electronic correlation in cyclic polyenes. Performance of coupled-cluster methods with higher excitations Journal of Chemical Physics. 116: 480-493. DOI: 10.1063/1.1425408  0.362
2002 Podeszwa R. Electronic correlation in cyclic polyenes. Behavior of approximate couple-pair theories for large rings Chemical Physics Letters. 365: 211-215. DOI: 10.1016/S0009-2614(02)01451-3  0.309
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