Related categories 2
Sites 6
Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, projects, publications, and software.
Molecular similarity theory, quantum chemistry, and numerical algorithms.
Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
Adsorption on ionic crystal surfaces, the Orient program for calculating structures and properties of weakly-bound systems, and the development of simple but accurate methods for describing intermolecular forces.
Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling.
Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, projects, publications, and software.
Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
Molecular similarity theory, quantum chemistry, and numerical algorithms.
Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
Adsorption on ionic crystal surfaces, the Orient program for calculating structures and properties of weakly-bound systems, and the development of simple but accurate methods for describing intermolecular forces.
Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling.
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October 17, 2023 at 5:35:20 UTC
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- Recently edited by cherel
- Recently edited by cherel