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Physics

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Research.com Recognitions

  • 2000 - Fellow of American Physical Society (APS) Citation For definitive contributions to the theory and calculation of intermolecular forces, electron correlation, exotic molecular phenomena, and neutrino mass experiments, using explicitly correlated basis functions

Overview

Krzysztof Szalewicz is affiliated with the University of Delaware in the United States. Their research spans the fields of Physics and Astronomy as well as Chemistry, with a focus on atomic and molecular physics, spectroscopy, and physical and theoretical chemistry.

Their work covers several specialized areas, including:

  • Advanced Chemical Physics Studies
  • Crystallography and molecular interactions
  • Machine Learning in Materials Science
  • Quantum, superfluid, helium dynamics
  • Spectroscopy and Laser Applications
  • Spectroscopy and Quantum Chemical Studies
  • Chemical Thermodynamics and Molecular Structure

Recent publications by Szalewicz illustrate the breadth of their research contributions. These include:

  • "SAPT codes for calculations of intermolecular interaction energies", 2020, The Journal of Chemical Physics
  • "Reliable crystal structure predictions from first principles", 2022, Nature Communications
  • "QED calculation of the dipole polarizability of helium atom", 2020, Physical Review A
  • "Automatic Generation of Flexible-Monomer Intermolecular Potential Energy Surfaces", 2020, Journal of Chemical Theory and Computation
  • "Physical mechanisms of intermolecular interactions from symmetry-adapted perturbation theory", 2022, Journal of Molecular Modeling

Frequent venues for their publications include:

  • The Journal of Chemical Physics
  • Journal of Chemical Theory and Computation
  • Molecular Physics
  • Nature Communications
  • Physical Review A

Szalewicz has collaborated regularly with several researchers, including:

  • Rahul Nikhar
  • Bogumił Jeziorski
  • Aling Jing
  • Piotr Jankowski
  • Attiq-Ur Rehman

Their work has been recognized by the American Physical Society, as Szalewicz was awarded the status of Fellow in 2000 with a citation highlighting contributions to the theory and calculation of intermolecular forces, electron correlation, exotic molecular phenomena, and neutrino mass experiments using explicitly correlated basis functions.

Best Publications

  • Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes

    Bogumil Jeziorski;Robert Moszynski;Krzysztof Szalewicz

  • Report on the sixth blind test of organic crystal-structure prediction methods

    Anthony M. Reilly;Richard I. Cooper;Claire S. Adjiman;Saswata Bhattacharya

  • Symmetry-adapted perturbation theory of intermolecular forces

    Krzysztof Szalewicz

  • Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations.

    Alston J. Misquitta;Rafał Podeszwa;Bogumił Jeziorski;Krzysztof Szalewicz

  • Predictions of the Properties of Water from First Principles

    Robert Bukowski;Krzysztof Szalewicz;Gerrit C. Groenenboom;Ad van der Avoird

  • Dispersion energy from density-functional theory description of monomers.

    Alston J. Misquitta;Bogumil Jeziorski;Krzysztof Szalewicz;Krzysztof Szalewicz

  • Potential energy surface for the benzene dimer and perturbational analysis of π-π interactions

    Rafał Podeszwa;Robert Bukowski;Krzysztof Szalewicz

  • Many‐body symmetry‐adapted perturbation theory of intermolecular interactions. H2O and HF dimers

    Stanisl;aw Rybak;Bogumil;Jeziorski

  • Theory and application of explicitly correlated Gaussians

    James Mitroy;Sergiy Bubin;Wataru Horiuchi;Yasuyuki Suzuki

  • Helium dimer potential from symmetry-adapted perturbation theory calculations using large Gaussian geminal and orbital basis sets

    Tatiana Korona;Hayes L. Williams;Robert Bukowski;Bogumil Jeziorski

  • New Born–Oppenheimer potential energy curve and vibrational energies for the electronic ground state of the hydrogen molecule

    Wl;odzimierz Kol;Krzysztof Szalewicz

  • Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory

    Robert Bukowski;Joanna Sadlej;Bogumił Jeziorski;Piotr Jankowski

  • A theoretical study of the water dimer interaction

    Krzysztof Szalewicz;Samuel J. Cole;Wl;odzimierz Kol

  • Symmetry-adapted double-perturbation analysis of intramolecular correlation effects in weak intermolecular interactions

    Krzysztof Szalewicz;Bogumil Jeziorski

  • Intermolecular forces from asymptotically corrected density functional description of monomers

    Alston J. Misquitta;Krzysztof Szalewicz

  • Effects of adiabatic, relativistic, and quantum electrodynamics interactions on the pair potential and thermophysical properties of helium.

    Wojciech Cencek;Michał Przybytek;Jacek Komasa;James B. Mehl

  • On the effectiveness of monomer-, dimer-, and bond-centered basis functions in calculations of intermolecular interaction energies

    Hayes L. Williams;Eric M. Mas;Krzysztof Szalewicz;Bogumil

  • Effects of monomer geometry and basis set saturation on computed depth of water dimer potential

    Eric M. Mas;Krzysztof Szalewicz

  • Dispersionless density functional theory.

    Katarzyna Pernal;Katarzyna Pernal;Rafał Podeszwa;Rafał Podeszwa;Konrad Patkowski;Krzysztof Szalewicz

  • Symmetry-adapted perturbation-theory calculations of intermolecular forces employing density-functional description of monomers

    Alston J. Misquitta;Krzysztof Szalewicz

Frequent Co-Authors

Ad van der Avoird
Ad van der Avoird Radboud University
Robert Moszynski
Robert Moszynski University of Warsaw
Claude Leforestier
Claude Leforestier University of Montpellier
Paul E. S. Wormer
Paul E. S. Wormer Radboud University
Petr Slavíček
Petr Slavíček University of Chemistry and Technology
Joel M. Bowman
Joel M. Bowman Emory University
Anne B. McCoy
Anne B. McCoy University of Washington
Zlatko Bačić
Zlatko Bačić New York University
Gerard Meijer
Gerard Meijer Fritz Haber Institute of the Max Planck Society
Rodney J. Bartlett
Rodney J. Bartlett University of Florida

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