Dasetty, S.

Authored

(147ac) Empowering Molecular Simulations with Machine Learning to Understand and Engineer Molecular Systems
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(2fx) Design and Engineering of Molecules Using Molecular Simulations and Machine Learning
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(474a) Predicting Activation Pathway of Integrin Using Generative Adversarial Networks and Targeted Molecular Dynamics Simulations
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(191b) Active Learning of Optimal Linear Molecular Probes to Bind with per- and Polyfluoroalkyl Substances in Water
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(2ho) Computational Active Learning of Switchable Materials and Molecular Probes
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(342g) Inverse Design of Molecular Probes to Bind with Water Contaminants
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(477g) Coarse-Grained Modeling of Polarizable Nanoparticle Assembly
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

Related Proceedings

2021 Annual Meeting2022 Annual Meeting2023 AIChE Annual Meeting