Search:
Home  About  Submit Site    
  
 
Sites [ Submit ]
Bayat, Hanif - PhD candidate in the area of theoretical chemical physics at University of Toronto. Includes previous and current academical projects and works. Pyykkö, Pekka - Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments. Znamenskiy, Vasiliy S. - Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids. Stone, Anthony - 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. Patchkovskii, Serguei - Theoretical and physical chemistry, semiempirical molecular orbital methods. Zapalowski, Michal - Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling. Case, Fiona - Molecular modeling of surfactants and polymers with an industrial focus. Constans, Pere - Molecular similarity theory, quantum chemistry, and numerical algorithms. Chihaia, Viorel - Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, projects, publications, and software. Ercolessi, Furio - Includes a primer on molecular dynamics simulations, course material (in Italian), information on the MDBNCH benchmark for molecular dynamics codes, and links to related materials. Kosenkov, Dmytro - Developing ab initio based quantum chemical and multiscale methods for simulations of chemical and biological processes. Includes descriptions of research, a list of publications, recent news, and notes from his teaching assignments. Gupta, Vineet - Research interests in computational chemistry and molecular modeling and their application to biological macromolecules. Includes research profile and publications.
Click [ Submit ] above to Add a New Site, Update a Site, or Remove a Site from this Category.
This directory is made available through a Creative Commons Attribution license from the DMOZ Organization.

© 2025 - Midnight Design Productions, LLC