Electronic Structure Calculations

Stochastic approaches to electronic structure calculations, due to their low scaling with the number of electrons and high degree of parallelization, hold considerable promise for the modeling of complex molecules and materials. This school will involve lectures about and hands-on experience with various stochastic electronic structure methods including diffusion Monte Carlo, variational Monte Carlo, full configuration interaction QMC, and Auxiliary Field QMC.

The school is targeted for graduate students doing research in electronic theory as well as postdoctoral fellows and faculty at undergraduate institutions interested in learning about stochastic electronic structure methods.  The exercises will be done using Python. Social events and discussions to foster collaboration and poster sessions are planned. We expect to be able to cover the costs of registration and housing for the participants. The instructors include George Booth, Kenneth Jordan, Brenda Rubenstein, Luke Shulenburger, Cyrus Umrigar, and Lucas Wagner.

The school will be held on the University of Pittsburgh’s Oakland campus with the planned dates of July 29 – August 2, 2019.

Application details will be provided at a later date.

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