Boris Kozinsky

Publication Activity (10 Years)

Years Active: 2014-2024
Publications (10 Years): 15

Top Topics

Data Provenance

Algebraic Properties

Top Venues

Comput. Phys. Commun.

Nat. Mach. Intell.

Publications

Xiang Fu, Andrew S. Rosen, Kyle Bystrom, Rui Wang, Albert Musaelian, Boris Kozinsky, Tess E. Smidt, Tommi S. Jaakkola
A Recipe for Charge Density Prediction. CoRR (2024)
Jonathan Vandermause, Anders Johansson, Yucong Miao, Joost J. Vlassak, Boris Kozinsky
Phase discovery with active learning: Application to structural phase transitions in equiatomic NiTi. CoRR (2024)
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)
Xiang Fu, Albert Musaelian, Anders Johansson, Tommi Jaakkola, Boris Kozinsky
Learning Interatomic Potentials at Multiple Scales. CoRR (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)
Sebastiaan P. Huber, Spyros Zoupanos, Martin Uhrin, Leopold Talirz, Leonid Kahle, Rico Häuselmann, Dominik Gresch, Tiziano Müller, Aliaksandr V. Yakutovich, Casper W. Andersen, Francisco F. Ramirez, Carl S. Adorf, Fernando Gargiulo, Snehal Kumbhar, Elsa Passaro, Conrad Johnston, Andrius Merkys, Andrea Cepellotti, Nicolas Mounet, Nicola Marzari, Boris Kozinsky, Giovanni Pizzi
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance. CoRR (2020)
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)
Yu Xie, Jonathan Vandermause, Lixin Sun, Andrea Cepellotti, Boris Kozinsky
Fast Bayesian Force Fields from Active Learning: Study of Inter-Dimensional Transformation of Stanene. 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)
Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, Boris Kozinsky
AiiDA: Automated Interactive Infrastructure and Database for Computational Science. CoRR (2015)
Giovanni Pizzi, Dmitri Volja, Boris Kozinsky, Marco Fornari, Nicola Marzari
An updated version of BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis. Comput. Phys. Commun. 185 (8) (2014)
Giovanni Pizzi, Dmitri Volja, Boris Kozinsky, Marco Fornari, Nicola Marzari
BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis. Comput. Phys. Commun. 185 (1) (2014)