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The Isayev lab works at the interface of theoretical chemistry, pharmaceutical sciences, and computer science. We use molecular simulations and artificial intelligence (AI) to solve difficult chemistry problems. Our research has been groundbreaking in the field of ML and quantum mechanics (QM), paving the way for developing several families of ...
Jun 15, 2023 · Isayev joined the Department of Chemistry as an assistant professor in 2020. Using machine learning and neural networks, Isayev is developing technology that has rapidly accelerated the pace at which new molecules are being discovered through a combination of artificial intelligence (AI), informatics and high-throughput quantum chemistry.
Aleksey Isayev. Aleksey Aleksandrovich Isayev (Azerbaijani: Aleksey Aleksandroviç İsayev; Russian: Алексей Александрович Исаев; born 9 November 1995) is a professional footballer who plays for Qarabağ in the Azerbaijan Premier League. Born in Russia, he plays for the Azerbaijan national team.
ClubSeasonLeague(division)League(apps)10196TotalTotal35Apr 20, 2020 · Earlier this month, Isayev was awarded a grant by the COVID-19 High Performance Computing Consortium, giving his team access to the powerful supercomputing resources available at the Pittsburgh Supercomputing Center that are now being directed at research on the novel coronavirus. Isayev's team is also planning to develop a new drug design platform using artificial intelligence that could ...
Carl and Amy Jones Professor of Chemistry, Carnegie Mellon University - Cited by 15,205 - computational chemistry - machine learning - deep learning - drug discovery - materials informatics
The Isayev lab works at the interface of theoretical chemistry, pharmaceutical sciences and computer science. In particular, we are using molecular simulations and artificial intelligence (AI) to solve hard problems in chemistry. We are working towards the acceleration of molecular discovery by the combination of AI, informatics and high ...
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ANI-2X/AMOEBA is accelerated using a multiple-timestep strategy focusing on the models contributions to low-frequency modes of nuclear forces. It primarily evaluates AMOEBA forces while including ...
