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The Journal of Chemical Theory and Computation is a peer-reviewed scientific journal, established in 2005 by the American Chemical Society. It is indexed in Chemical Abstracts Service (CAS), Scopus, British Library, and Web of Science. The current editors are William L. Jorgensen and Gustavo E. Scuseria. . Currently as of the year 2015, JCTC has 11 volumes.

Scope
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 Journal favors submissions that include advances in theory or methodology with applications to compelling problems".

History
The first issue of JCTC was published in 2005 as a bimonthly journal with 133 articles published in the first volume. In 2008, JCTC increased their output to become a monthly publication, producing 12 issues per year. In the same year, JCTC took professor Ursula Rothlisberger from the Swiss Federal Institute of Technology as their associate editor. In the year 2009, the editorial team was further expanded with the addition of Professor Gustavo Scuseria from Rice University.