Boris Kozinsky

24 papers A* 1A 2Journal 21

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	A practical guide to machine learning interatomic potentials - Status and future. CoRR Ryan Jacobs, Dane Morgan, Siamak Attarian, Jun Meng, Chen Shen, Zhenghao Wu, Clare Yijia Xie, Julia H. Yang, Nongnuch Artrith, Ben Blaiszik, Gerbrand Ceder, Kamal Choudhary, Gábor Csányi, Ekin Dogus Cubuk, Bowen Deng, Ralf Drautz, Xiang Fu, Jonathan Godwin, Vasant G. Honavar, Olexandr Isayev, Anders Johansson, Boris Kozinsky, Stefano Martiniani, Shyue Ping Ong, Igor Poltavsky, K. J. Schmidt, So Takamoto, Aidan Thompson, Julia Westermayr, Brandon M. Wood
2025	J	`jnl`	Coupled reaction and diffusion governing interface evolution in solid-state batteries. CoRR Jingxuan Ding, Laura Zichi, Matteo Carli, Menghang Wang, Albert Musaelian, Yu Xie, Boris Kozinsky
2025	J	`jnl`	High-performance training and inference for deep equivariant interatomic potentials. CoRR Chuin Wei Tan, Marc L. Descoteaux, Mit Kotak, Gabriel de Miranda Nascimento, Seán R. Kavanagh, Laura Zichi, Menghang Wang, Aadit Saluja, Yizhong R. Hu, Tess E. Smidt, Anders Johansson, William C. Witt, Boris Kozinsky, Albert Musaelian
2025	A	`conf`	Multiscale Light-Matter Dynamics in Quantum Materials: From Electrons to Topological Superlattices. SC Taufeq Mohammed Razakh, Thomas Linker, Ye Luo, Nariman Piroozan, Simon John Pennycook, Nalini Kumar, Albert Musaelian, Anders Johansson, Boris Kozinsky, Rajiv K. Kalia, Priya Vashishta, Fuyuki Shimojo, Shinnosuke Hattori, Ken-ichi Nomura, Aiichiro Nakano
2025	J	`jnl`	The design space of E(3)-equivariant atom-centred interatomic potentials. Nat. Mac. Intell. Ilyes Batatia, Simon L. Batzner, Dávid Péter Kovács, Albert Musaelian, Gregor N. C. Simm, Ralf Drautz, Christoph Ortner, Boris Kozinsky, Gábor Csányi
2024	A*	`conf`	A Recipe for Charge Density Prediction. NeurIPS Xiang Fu, Andrew S. Rosen, Kyle Bystrom, Rui Wang, Albert Musaelian, Boris Kozinsky, Tess E. Smidt, Tommi S. Jaakkola
2024	J	`jnl`	A Recipe for Charge Density Prediction. CoRR Xiang Fu, Andrew S. Rosen, Kyle Bystrom, Rui Wang, Albert Musaelian, Boris Kozinsky, Tess E. Smidt, Tommi S. Jaakkola
2024	J	`jnl`	Phase discovery with active learning: Application to structural phase transitions in equiatomic NiTi. CoRR Jonathan Vandermause, Anders Johansson, Yucong Miao, Joost J. Vlassak, Boris Kozinsky
2023	J	`jnl`	Accurate Surface and Finite Temperature Bulk Properties of Lithium Metal at Large Scales using Machine Learning Interaction Potentials. CoRR Mgcini Keith Phuthi, Archie Mingze Yao, Simon L. Batzner, Albert Musaelian, Boris Kozinsky, Ekin Dogus Cubuk, Venkatasubramanian Viswanathan
2023	J	`jnl`	Learning Interatomic Potentials at Multiple Scales. CoRR Xiang Fu, Albert Musaelian, Anders Johansson, Tommi S. Jaakkola, Boris Kozinsky
2023	A	`conf`	Scaling the Leading Accuracy of Deep Equivariant Models to Biomolecular Simulations of Realistic Size. SC Boris Kozinsky, Albert Musaelian, Anders Johansson, Simon L. Batzner
2023	J	`jnl`	Scaling the leading accuracy of deep equivariant models to biomolecular simulations of realistic size. CoRR Albert Musaelian, Anders Johansson, Simon L. Batzner, Boris Kozinsky
2022	J	`jnl`	Fast Uncertainty Estimates in Deep Learning Interatomic Potentials. CoRR Albert Zhu, Simon L. Batzner, Albert Musaelian, Boris Kozinsky
2022	J	`jnl`	Learning Local Equivariant Representations for Large-Scale Atomistic Dynamics. CoRR Albert Musaelian, Simon L. Batzner, Anders Johansson, Lixin Sun, Cameron J. Owen, Mordechai Kornbluth, Boris Kozinsky
2022	J	`jnl`	The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials. CoRR Ilyes Batatia, Simon L. Batzner, Dávid Péter Kovács, Albert Musaelian, Gregor N. C. Simm, Ralf Drautz, Christoph Ortner, Boris Kozinsky, Gábor Csányi
2021	J	`jnl`	SE(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials. CoRR Simon L. Batzner, Tess E. Smidt, Lixin Sun, Jonathan P. Mailoa, Mordechai Kornbluth, Nicola Molinari, Boris Kozinsky
2020	J	`jnl`	AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance. CoRR 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
2020	J	`jnl`	Fast Bayesian Force Fields from Active Learning: Study of Inter-Dimensional Transformation of Stanene. CoRR Yu Xie, Jonathan Vandermause, Lixin Sun, Andrea Cepellotti, Boris Kozinsky
2020	J	`jnl`	Multitask machine learning of collective variables for enhanced sampling of rare events. CoRR Lixin Sun, Jonathan Vandermause, Simon L. Batzner, Yu Xie, David Clark, Wei Chen, Boris Kozinsky
2019	J	`jnl`	A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems. Nat. Mach. Intell. Jonathan P. Mailoa, Mordechai Kornbluth, Simon L. Batzner, Georgy Samsonidze, Stephen T. Lam, Jonathan Vandermause, Chris Ablitt, Nicola Molinari, Boris Kozinsky
2019	J	`jnl`	Fast Neural Network Approach for Direct Covariant Forces Prediction in Complex Multi-Element Extended Systems. CoRR Jonathan P. Mailoa, Mordechai Kornbluth, Simon L. Batzner, Georgy Samsonidze, Stephen T. Lam, Chris Ablitt, Nicola Molinari, Boris Kozinsky
2015	J	`jnl`	AiiDA: Automated Interactive Infrastructure and Database for Computational Science. CoRR Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, Boris Kozinsky
2014	J	`jnl`	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. Giovanni Pizzi, Dmitri Volja, Boris Kozinsky, Marco Fornari, Nicola Marzari
2014	J	`jnl`	BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis. Comput. Phys. Commun. Giovanni Pizzi, Dmitri Volja, Boris Kozinsky, Marco Fornari, Nicola Marzari