ORCID<\/a><\/p>\n
\nInformacje:<\/p>\n
Doktorat: 2003 – Uniwersytet Warszawski<\/em>
\nHabilitacja: 2010 – Uniwersytet Warszawski<\/em><\/p>\n
\nDane kontaktowe:<\/p>\n
e-mail: rafal.podeszwa@us.edu.pl
\n<\/em>telefon: (32) 359-14-60<\/em>
\nadres: pok. 163<\/strong>, ul. Bankowa 14, 40-007 Katowice<\/em><\/p>\n
\nInformacje o wsp\u00f3\u0142pracy z innymi o\u015brodkami\/zespo\u0142ami:<\/p>\n
\n- prof. Henryk Witek, National Chiao Tung University, Hsinchu, Tajwan<\/li>\n
- prof. Krzysztof Szalewicz, University of Delware, USA<\/li>\n<\/ul>\n
\nTematyka bada\u0144:<\/p>\n
Moj\u0105 specjalno\u015bci\u0105 naukow\u0105 jest chemia teoretyczna\/obliczeniowa. W szczeg\u00f3lno\u015bci interesuj\u0105 mnie oddzia\u0142ywania mi\u0119dzycz\u0105steczkowe, a ostatnio r\u00f3wnie\u017c mi\u0119dzycz\u0105stkowe (nieadiabatyczny model trzech cz\u0105stek).\u00a0 Moja praca skupia si\u0119 na tworzeniu nowych metod obliczeniowych i ich komputerowej implementacji w j\u0119zykach programowania, takich jak\u00a0 Fortran, C oraz Julia. Takie podej\u015bcie umo\u017cliwia szeroki wachlarz zastosowa\u0144 od potencja\u0142\u00f3w molekularnych (modelowanie cieczy oraz kryszta\u0142\u00f3w) a\u017c po modele relatywistyczne.<\/p>\n
\nProjekty:<\/p>\n
\n- Empiryczna nieaddytywna dyspersja w kompleksach van der Waalss, NCN, OPUS 9, 2016-2019,<\/li>\n
- ,Modelowanie materia\u0142\u00f3w molekularnych dok\u0142adnymi i wydajnymi metodami kwantowymi, Polsko-tajwa\u0144ska wsp\u00f3\u0142praca bilateralna, NCBR, 2016-2019<\/li>\n
- Gradienty w rachunku zaburze\u0144 o adaptowanej symetrii, NCN, OPUS 3, 2013-2016<\/li>\n
- Przewidywanie struktur polimorficznych oraz teoretyczne modelowanie kryszta\u0142\u00f3w molekularnych substancji czynnych lek\u00f3w, MNiSW, 2009-2012<\/li>\n
- „Powroty” Dwuletnie subsydium Fundacji na rzecz Nauki Polskie,\u00a0 2007, przed\u0142u\u017cone o dodatkowy rok w 2009\/10<\/li>\n<\/ol>\n
Wybrane publikacje:<\/p>\n
\n- R Podeszwa, W. Jankiewicz, M. Krzu\u015b, and Henryk A. Witek, Correcting long-range electrostatics in DFTB<\/em>, J. Chem. Phys., 150<\/strong>, 234110 (2019).<\/li>\n
- W. Jankiewicz and R. Podeszwa, and H. A. Witek, Dispersion-Corrected DFT Struggles with Predicting Three-Body Interaction Energies<\/em>, J. Chem. Theor. Comput., 14<\/strong>, 5079 (2018).<\/li>\n
- R. Podeszwa and G. Jansen, Comment on \u201cLong-Range Repulsion Between Spatially Confined van der Waals Dimers\u201d<\/em>, Phys. Rev. Lett., 120<\/strong>, 258901 (2018).<\/li>\n
- D. E. Taylor, J. G. \u00c1ngy\u00e1n, G. Galli, C. Zhang, F. Gygi, K. Hirao, J. W Song, K. Rahul, O. A. von Lilienfeld, R. Podeszwa,\u00a0 I. W. Bulik, T. M. Henderson, G. E. Scuseria, J. Toulouse, R. Peverati, D. G. Truhlar, and K. Szalewicz, Blind test of density-functional-based methods on intermolecular interaction energies<\/em>, J. Chem. Phys. 145<\/strong>, 124105 (2016).<\/li>\n
- A. M. Reilly et al.<\/em>}, Report on the sixth blind test of organic crystal structure prediction methods<\/em>, Acta Cryst. B72<\/strong>, 439-459 (2016).<\/li>\n
- R. Podeszwa, W. Cencek, and K. Szalewicz, Efficient Calculations of Dispersion Energies for Nanoscale Systems from Coupled Density Response Functions<\/em>, J. Chem. Theor. Comput. 8<\/strong>, 1963-1969 (2012).<\/li>\n
- A. van der Avoird, R. Podeszwa, K. Szalewicz, C. Leforestier, R. van Harrevelt, P. R. Bunker, M. Schnell, G. von Helden G, and G. Meijer, Vibration-rotation-tunneling states of the benzene dimer: an ab initio study<\/em>, Phys. Chem. Chem. Phys., 12<\/strong>, 8219 (2010).<\/li>\n
- R. Podeszwa, K. Patkowski, and K. Szalewicz, Improved interaction energy benchmarks for dimers of biological relevance, <\/em>Phys. Chem. Chem. Phys., 12<\/strong>, 5974 (2010).<\/li>\n
- R. Podeszwa,\u00a0 Interactions of graphene sheets deduced from properties of polycyclic aromatic hydrocarbons<\/em>, J. Chem. Phys., 132<\/strong>, 044704 (2010).<\/li>\n
- R. Podeszwa, K. Pernal, K. Patkowski, and K. Szalewicz, An extension of the Hartree-Fock plus dispersion method by first-order correlation effects<\/em>, J. Phys. Chem. Lett., 1<\/strong>, 550-555 (2010).<\/li>\n
- K. Pernal, R. Podeszwa, K. Patkowski, and K. Szalewicz, Dispersionless density functional theory<\/em>, Phys. Rev. Lett., 103<\/strong>, 263201 (2009).<\/li>\n
- R. Podeszwa, B. M. Rice, and K. Szalewicz, Predicting structure of molecular crystals from first principles<\/em>, Phys. Rev. Lett, 101<\/strong>, 115503 (2008).<\/li>\n
- R. Podeszwa, Comment on: Beyond the Benzene Dimer: An Investigation of the Additivity of pi-pi Interactions<\/em>, J. Phys. Chem. A, 112<\/strong>, 8884 (2008).<\/li>\n
- R. Podeszwa and K. Szalewicz, Three-body symmetry-adapted perturbation <\/em><\/li>\n
- theory based on Kohn-Sham description of the monomers<\/em>, J. Chem. Phys., 126<\/strong>, 194101 (2007).<\/li>\n
- R. Podeszwa, R. Bukowski, and K. Szalewicz, Potential energy surface for the benzene dimer and perturbational analysis of pi-pi interactions<\/em>, J. Phys. Chem. A, 110<\/strong>, 10345 (2006).<\/li>\n
- R. Podeszwa, R. Bukowski, and K. Szalewicz Density-fitting method in symmetry-adapted perturbation theory based on Kohn-Sham description of monomers<\/em>,\u00a0 J. Chem. Theor. Comput., 2<\/strong>, 400 (2006).<\/li>\n
- A. J. Misquitta, R. Podeszwa, B. Jeziorski, and K. Szalewicz, Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations<\/em>,\u00a0 J. Chem. Phys. 123<\/strong>, 214103 (2005).<\/li>\n<\/ol>\n
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