Bastea, S.

Authored

(360aa) The Chebyshev Interaction Model for Efficient Simulations (ChIMES): Machine-Learned Interatomic Models for Quantum-Accurate Reactive Simulation
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(152e) Machine-Learning a Solution for Reactive Simulations of Complex Chemical Systems
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(657h) Extending the Reach of Particle-Based Simulations with Machine-Learned Models
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(411b) Actively Learning Robust High-Complexity Force Fields
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(750c) Achieving Large Scale Quantum-Accurate Reactive Molecular Dynamics: The Chebyshev Interaction Model for Efficient Simulations (ChIMES)
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

Related Proceedings

2018 AIChE Annual Meeting2019 AIChE Annual Meeting2020 Virtual AIChE Annual Meeting2022 Annual Meeting