Publications by authors named "Boris Kozinsky"

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Learning local equivariant representations for large-scale atomistic dynamics.
Albert Musaelian, Simon Batzner, Anders Johansson, Lixin Sun, Cameron J Owen, Mordechai Kornbluth, Boris Kozinsky

Nat Commun· February 2023

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Nonequilibrium quantum dynamics in SrTiO under impulsive THz radiation with machine learning.
Francesco Libbi, Anders Johansson, Boris Kozinsky, Lorenzo Monacelli

Sci Adv· September 2025

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Nanoscale wetting controls reactive Pd ensembles in synthesis of dilute PdAu alloy catalysts.
Kang Rui Garrick Lim, Cameron J Owen, Selina K Kaiser, Prahlad K Routh, Montserrat Mendoza, Boris Kozinsky

Nat Commun· July 2025

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Atomistic simulations of out-of-equilibrium quantum nuclear dynamics.
Francesco Libbi, Anders Johansson, Lorenzo Monacelli, Boris Kozinsky

NPJ Comput Mater· April 2025

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Unified differentiable learning of electric response.
Stefano Falletta, Andrea Cepellotti, Anders Johansson, Chuin Wei Tan, Marc L Descoteaux, Boris Kozinsky

Nat Commun· April 2025

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Room-Temperature Decomposition of the Ethaline Deep Eutectic Solvent.
Julia H Yang, Amanda Whai Shin Ooi, Zachary A H Goodwin, Yu Xie, Jingxuan Ding, Boris Kozinsky

J Phys Chem Lett· March 2025

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The design space of E(3)-equivariant atom-centred interatomic potentials.
Ilyes Batatia, Simon Batzner, Dávid Péter Kovács, Albert Musaelian, Gregor N C Simm, Boris Kozinsky

Nat Mach Intell· January 2025

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Programming liquid crystal elastomers for multistep ambidirectional deformability.
Yuxing Yao, Atalaya Milan Wilborn, Baptiste Lemaire, Foteini Trigka, Friedrich Stricker, Boris Kozinsky

Science· December 2024

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Long-Range Surface Forces in Salt-in-Ionic Liquids.
Xuhui Zhang, Zachary A H Goodwin, Alexis G Hoane, Alex Deptula, Daniel M Markiewitz, Boris Kozinsky

ACS Nano· December 2024

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Training Machine-Learned Density Functionals on Band Gaps.
Kyle Bystrom, Stefano Falletta, Boris Kozinsky

J Chem Theory Comput· September 2024

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Transferability and Accuracy of Ionic Liquid Simulations with Equivariant Machine Learning Interatomic Potentials.
Zachary A H Goodwin, Malia B Wenny, Julia H Yang, Andrea Cepellotti, Jingxuan Ding, Boris Kozinsky

J Phys Chem Lett· August 2024

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Low-index mesoscopic surface reconstructions of Au surfaces using Bayesian force fields.
Cameron J Owen, Yu Xie, Anders Johansson, Lixin Sun, Boris Kozinsky

Nat Commun· May 2024

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3D spatiotemporally scalable in vivo neural probes based on fluorinated elastomers.
Paul Le Floch, Siyuan Zhao, Ren Liu, Nicola Molinari, Eder Medina, Boris Kozinsky

Nat Nanotechnol· March 2024

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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 Batzner, Albert Musaelian, Pinwen Guan, Boris Kozinsky

ACS Omega· March 2024

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Flexible fluid-based encapsulation platform for water-sensitive materials.
Baptiste Lemaire, Yanhao Yu, Nicola Molinari, Haichao Wu, Zachary A H Goodwin, Boris Kozinsky

Proc Natl Acad Sci U S A· August 2023

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Fast uncertainty estimates in deep learning interatomic potentials.
Albert Zhu, Simon Batzner, Albert Musaelian, Boris Kozinsky

J Chem Phys· April 2023

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Synthesis and Characterization of Stable Cu-Pt Nanoparticles under Reductive and Oxidative Conditions.
Alexandre C Foucher, Shengsong Yang, Daniel J Rosen, Renjing Huang, Jun Beom Pyo, Boris Kozinsky

J Am Chem Soc· March 2023

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Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt.
Jonathan Vandermause, Yu Xie, Jin Soo Lim, Cameron J Owen, Boris Kozinsky

Nat Commun· September 2022

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Dynamical Study of Adsorbate-Induced Restructuring Kinetics in Bimetallic Catalysts Using the PdAu(111) Model System.
Chen Zhou, Hio Tong Ngan, Jin Soo Lim, Zubin Darbari, Adrian Lewandowski, Boris Kozinsky

J Am Chem Soc· August 2022

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Dilute Alloys Based on Au, Ag, or Cu for Efficient Catalysis: From Synthesis to Active Sites.
Jennifer D Lee, Jeffrey B Miller, Anna V Shneidman, Lixin Sun, Jason F Weaver, Boris Kozinsky

Chem Rev· May 2022

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E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials.
Simon Batzner, Albert Musaelian, Lixin Sun, Mario Geiger, Jonathan P Mailoa, Boris Kozinsky

Nat Commun· May 2022

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CIDER: An Expressive, Nonlocal Feature Set for Machine Learning Density Functionals with Exact Constraints.
Kyle Bystrom, Boris Kozinsky

J Chem Theory Comput· April 2022

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Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events.
Lixin Sun, Jonathan Vandermause, Simon Batzner, Yu Xie, David Clark, Boris Kozinsky

J Chem Theory Comput· April 2022

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Understanding Relationships between Free Volume and Oxygen Absorption in Ionic Liquids.
Malia B Wenny, Nicola Molinari, Adam H Slavney, Surendra Thapa, Byeongdu Lee, Boris Kozinsky

J Phys Chem B· February 2022

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Decoding reactive structures in dilute alloy catalysts.
Nicholas Marcella, Jin Soo Lim, Anna M Płonka, George Yan, Cameron J Owen, Boris Kozinsky

Nat Commun· February 2022

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