Boris Kozinsky

According to our database, Boris Kozinsky authored at least 17 papers between 2014 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

A Recipe for Charge Density Prediction.

Xiang Fu, Andrew S. Rosen, Kyle Bystrom, Rui Wang, Albert Musaelian, Boris Kozinsky, Tess E. Smidt, Tommi S. Jaakkola

CoRR, 2024

Phase discovery with active learning: Application to structural phase transitions in equiatomic NiTi.

Jonathan Vandermause, Anders Johansson, Yucong Miao, Joost J. Vlassak, Boris Kozinsky

CoRR, 2024

2023

Learning Interatomic Potentials at Multiple Scales.

Xiang Fu, Albert Musaelian, Anders Johansson, Tommi S. Jaakkola, Boris Kozinsky

CoRR, 2023

Accurate Surface and Finite Temperature Bulk Properties of Lithium Metal at Large Scales using Machine Learning Interaction Potentials.

Mgcini Keith Phuthi, Archie Mingze Yao, Simon L. Batzner, Albert Musaelian, Boris Kozinsky, Ekin Dogus Cubuk, Venkatasubramanian Viswanathan

CoRR, 2023

Scaling the Leading Accuracy of Deep Equivariant Models to Biomolecular Simulations of Realistic Size.

Boris Kozinsky, Albert Musaelian, Anders Johansson, Simon L. Batzner

Proceedings of the International Conference for High Performance Computing, 2023

2022

Fast Uncertainty Estimates in Deep Learning Interatomic Potentials.

Albert Zhu, Simon L. Batzner, Albert Musaelian, Boris Kozinsky

CoRR, 2022

The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.

Ilyes Batatia, Simon L. Batzner, Dávid Péter Kovács, Albert Musaelian, Gregor N. C. Simm, Ralf Drautz, Christoph Ortner, Boris Kozinsky, Gábor Csányi

CoRR, 2022

Learning Local Equivariant Representations for Large-Scale Atomistic Dynamics.

Albert Musaelian, Simon L. Batzner, Anders Johansson, Lixin Sun, Cameron J. Owen, Mordechai Kornbluth, Boris Kozinsky

CoRR, 2022

2021

SE(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials.

Simon L. Batzner, Tess E. Smidt, Lixin Sun, Jonathan P. Mailoa, Mordechai Kornbluth, Nicola Molinari, Boris Kozinsky

CoRR, 2021

2020

Multitask machine learning of collective variables for enhanced sampling of rare events.

Lixin Sun, Jonathan Vandermause, Simon L. Batzner, Yu Xie, David Clark, Wei Chen, Boris Kozinsky

CoRR, 2020

Fast Bayesian Force Fields from Active Learning: Study of Inter-Dimensional Transformation of Stanene.

Yu Xie, Jonathan Vandermause, Lixin Sun, Andrea Cepellotti, Boris Kozinsky

CoRR, 2020

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance.

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

CoRR, 2020

2019

A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems.

Jonathan P. Mailoa, Mordechai Kornbluth, Simon L. Batzner, Georgy Samsonidze, Stephen T. Lam, Jonathan Vandermause, Chris Ablitt, Nicola Molinari, Boris Kozinsky

Nat. Mach. Intell., 2019

Fast Neural Network Approach for Direct Covariant Forces Prediction in Complex Multi-Element Extended Systems.

Jonathan P. Mailoa, Mordechai Kornbluth, Simon L. Batzner, Georgy Samsonidze, Stephen T. Lam, Chris Ablitt, Nicola Molinari, Boris Kozinsky

CoRR, 2019

2015

AiiDA: Automated Interactive Infrastructure and Database for Computational Science.

Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, Boris Kozinsky

CoRR, 2015

2014

An updated version of BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis.

Giovanni Pizzi, Dmitri Volja, Boris Kozinsky, Marco Fornari, Nicola Marzari

Comput. Phys. Commun., 2014

BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis.

Giovanni Pizzi, Dmitri Volja, Boris Kozinsky, Marco Fornari, Nicola Marzari

Comput. Phys. Commun., 2014