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2. List of computational chemists - Wikipedia

   en.wikipedia.org/wiki/List_of_computational_chemists

   Kersti Hermansson, researches on condensed-matter chemistry including the investigation of chemical bonding and development of quantum chemical methods; Kendall N. Houk (1943–), well known for using the tools of computational chemistry to study organic, organometallic, and biological reactions; Poul Jørgensen (1944–), developer of Dalton

3. Computational chemistry - Wikipedia

   en.wikipedia.org/wiki/Computational_chemistry

   Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [1] It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules , groups of molecules, and solids. [ 2 ]

4. Angela K. Wilson - Wikipedia

   en.wikipedia.org/wiki/Angela_K._Wilson

   Angela K. Wilson is an American scientist and former (2022) President of the American Chemical Society. [1] She currently serves as the John A. Hannah Distinguished Professor of Chemistry, associate dean for strategic initiatives in the College of Natural Sciences, [2] and director of the MSU Center for Quantum Computing, Science, and Engineering (MSU-Q) [3] at Michigan State University.

5. Category:Computational chemists - Wikipedia

   en.wikipedia.org/wiki/Category:Computational...

   Indian computational chemists (14 P) Pages in category "Computational chemists" The following 191 pages are in this category, out of 191 total.

6. Category:Computational chemistry - Wikipedia

   en.wikipedia.org/wiki/Category:Computational...

   Pages in category "Computational chemistry" The following 153 pages are in this category, out of 153 total. This list may not reflect recent changes. ...

7. Journal of Chemical Theory and Computation - Wikipedia

   en.wikipedia.org/wiki/Journal_of_Chemical_Theory...

   Much of the JCTC reports on new theories, methods and applications of quantum chemical knowledge, such as electronic structure, molecular mechanics and statistical mechanics. Research of computational applications such as ab initio quantum mechanics, Monte Carlo simulations and solvation model are discussed among others. It is stated that "the ...