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Laura Gagliardi (born 6 April 1968) is an Italian theoretical and computational chemist and the Richard and Kathy Leventhal Professor of Chemistry and Molecular Engineering at the University of Chicago. She is known for her work on the development of electronic structure methods and their use for understanding complex chemical systems.
Jeffrey Skolnick is an American computational biologist.He is currently a Georgia Institute of Technology School of Biology Professor, the Director of the Center for the Study of Systems Biology, the Mary and Maisie Gibson Chair, the Georgia Research Alliance Eminent Scholar in Computational Systems Biology, the Director of the Integrative BioSystems Institute, and was previously the ...
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 ]
Cramer was editor-in-chief (and before that, associate editor) of the scientific journal Theoretical Chemistry Accounts from 1997 to 2014. He was associate editor for the Journal of Physical Organic Chemistry from 1997 to 2018. [4] [1] He is the author of the 2013 textbook Essentials of Computational Chemistry: Theories and Models. [9]
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
The lab also has experience licensing new technology for industrial and commercial applications. [35] [36] PME's educational outreach initiatives include K-12 programs with events and internships throughout the year. In 2019, with the establishment of PME, the school also launched a partnership with City Colleges of Chicago.
In 2001, the International Conference on Computational Science (ICCS) was first organized. Since then, it has been organized yearly. ICCS is an A-rank conference in the CORE ranking. [48] The Journal of Computational Science published its first issue in May 2010. [49] [50] [51] The Journal of Open Research Software was launched in 2012. [52]
The Quantum Chemistry Program Exchange (QCPE) was an organization located at Indiana University Bloomington from 1963 to 2007 that was devoted to the distribution of computational chemistry software before electronic file transfer on the internet became a widely available method of software distribution. [1]