Simon L. Batzner

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 13

Top Topics

Response Surface

Top Venues

Nat. Mach. Intell.

Nat. Comput. Sci.

Publications

Boris Kozinsky, Albert Musaelian, Anders Johansson, Simon L. Batzner
Scaling the Leading Accuracy of Deep Equivariant Models to Biomolecular Simulations of Realistic Size. SC (2023)
Mgcini Keith Phuthi, Archie Mingze Yao, Simon L. Batzner, Albert Musaelian, Boris Kozinsky, Ekin Dogus Cubuk, Venkatasubramanian Viswanathan
Accurate Surface and Finite Temperature Bulk Properties of Lithium Metal at Large Scales using Machine Learning Interaction Potentials. CoRR (2023)
Amil Merchant, Simon L. Batzner, Samuel S. Schoenholz, Muratahan Aykol, Gowoon Cheon, Ekin Dogus Cubuk
Scaling deep learning for materials discovery. Nat. 624 (7990) (2023)
Muratahan Aykol, Amil Merchant, Simon L. Batzner, Jennifer N. Wei, Ekin Dogus Cubuk
Predicting emergence of crystals from amorphous matter with deep learning. CoRR (2023)
Simon L. Batzner
Biasing energy surfaces towards the unknown. Nat. Comput. Sci. 3 (3) (2023)
Albert Musaelian, Anders Johansson, Simon L. Batzner, Boris Kozinsky
Scaling the leading accuracy of deep equivariant models to biomolecular simulations of realistic size. CoRR (2023)
Albert Zhu, Simon L. Batzner, Albert Musaelian, Boris Kozinsky
Fast Uncertainty Estimates in Deep Learning Interatomic Potentials. CoRR (2022)
Albert Musaelian, Simon L. Batzner, Anders Johansson, Lixin Sun, Cameron J. Owen, Mordechai Kornbluth, Boris Kozinsky
Learning Local Equivariant Representations for Large-Scale Atomistic Dynamics. CoRR (2022)
Ilyes Batatia, Simon L. Batzner, Dávid Péter Kovács, Albert Musaelian, Gregor N. C. Simm, Ralf Drautz, Christoph Ortner, Boris Kozinsky, Gábor Csányi
The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials. CoRR (2022)
Simon L. Batzner, Tess E. Smidt, Lixin Sun, Jonathan P. Mailoa, Mordechai Kornbluth, Nicola Molinari, Boris Kozinsky
SE(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials. CoRR (2021)
Lixin Sun, Jonathan Vandermause, Simon L. Batzner, Yu Xie, David Clark, Wei Chen, Boris Kozinsky
Multitask machine learning of collective variables for enhanced sampling of rare events. CoRR (2020)
Jonathan P. Mailoa, Mordechai Kornbluth, Simon L. Batzner, Georgy Samsonidze, Stephen T. Lam, Jonathan Vandermause, Chris Ablitt, Nicola Molinari, Boris Kozinsky
A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems. Nat. Mach. Intell. 1 (10) (2019)
Jonathan P. Mailoa, Mordechai Kornbluth, Simon L. Batzner, Georgy Samsonidze, Stephen T. Lam, Chris Ablitt, Nicola Molinari, Boris Kozinsky
Fast Neural Network Approach for Direct Covariant Forces Prediction in Complex Multi-Element Extended Systems. CoRR (2019)