Neural networks and computational chemistry
On 26 September 2022, Olexandr Isayev (Carnegie Mellon University, USA) visited HITS and SIMPLAIX and gave a joint HITS/SIMPLAIX (hybrid) talk on “neural networks learning computational chemistry”.
SIMPLAIX member Rostislav Fedorov (HITS) introduced the speaker and moderated the subsequent discussion.
Olexandr Isayev’s talk is available on the HITS Youtube-Channel.
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About HITS
HITS, the Heidelberg Institute for Theoretical Studies, was established in 2010 by physicist and SAP co-founder Klaus Tschira (1940-2015) and the Klaus Tschira Foundation as a private, non-profit research institute. HITS conducts basic research in the natural, mathematical, and computer sciences. Major research directions include complex simulations across scales, making sense of data, and enabling science via computational research. Application areas range from molecular biology to astrophysics. An essential characteristic of the Institute is interdisciplinarity, implemented in numerous cross-group and cross-disciplinary projects. The base funding of HITS is provided by the Klaus Tschira Foundation.
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