Olexandr Isayev

Citation name

Isayev, O.

Affiliation

University of North Carolina at Chapel Hill

State

NC

Country

USA

Olexandr Isayev is an Assistant Professor in the Department of Chemistry at Carnegie Mellon University. His areas of expertise include computational chemistry, quantum mechanics, and artificial intelligence (AI). He is working towards the acceleration of molecular discovery by the combination of AI, informatics and high-throughput quantum chemistry. He is a recipient of 2017 “Emerging Technology Award” from the American Chemical Society (ACS) and the GPU computing award from NVIDIA Corporation.

Authored

(681a) Accurate Property Prediction for Inorganic Materials with Machine Learning

Olexandr Isayev

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(582b) Materials Informatics Platform for Property Prediction

Olexandr Isayev

2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)

(136e) Prediction of Phase Transition Thermodynamics for Crystals of Pharmaceutical Compounds

Olexandr Isayev

Alexander Golbraikh

Alexander Tropsha

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(595i) Computer-Aided Design of Novel Materials with Desired Electronic and Physical Properties

Olexandr Isayev

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(528d) Approaching Coupled Cluster Accuracy with a General-Purpose Neural Network Potential

Olexandr Isayev

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(209e) Accelerating Molecular Discovery with Machine Learning and AI

Olexandr Isayev

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(310c) Scaling Molecular Modeling to Millions of Reactions with Neural Network Potentials

Olexandr Isayev

2024 AIChE Annual Meeting (ISBN: 978-0-8169-1122-6)

Associated proceedings

2016 AIChE Annual Meeting

2015 AIChE Annual Meeting Proceedings

2017 Annual Meeting

2020 Virtual AIChE Annual Meeting

2024 AIChE Annual Meeting