Boris Kozinsky

Orcid: 0000-0002-0638-539X

According to our database1, Boris Kozinsky authored at least 17 papers between 2014 and 2024.

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Bibliography

2024
A Recipe for Charge Density Prediction.
CoRR, 2024

Phase discovery with active learning: Application to structural phase transitions in equiatomic NiTi.
CoRR, 2024

2023
Learning Interatomic Potentials at Multiple Scales.
CoRR, 2023

Accurate Surface and Finite Temperature Bulk Properties of Lithium Metal at Large Scales using Machine Learning Interaction Potentials.
CoRR, 2023

Scaling the Leading Accuracy of Deep Equivariant Models to Biomolecular Simulations of Realistic Size.
Proceedings of the International Conference for High Performance Computing, 2023

2022
Fast Uncertainty Estimates in Deep Learning Interatomic Potentials.
CoRR, 2022

The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.
CoRR, 2022

Learning Local Equivariant Representations for Large-Scale Atomistic Dynamics.
CoRR, 2022

2021
SE(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials.
CoRR, 2021

2020
Multitask machine learning of collective variables for enhanced sampling of rare events.
CoRR, 2020

Fast Bayesian Force Fields from Active Learning: Study of Inter-Dimensional Transformation of Stanene.
CoRR, 2020

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance.
CoRR, 2020

2019
A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems.
Nat. Mach. Intell., 2019

Fast Neural Network Approach for Direct Covariant Forces Prediction in Complex Multi-Element Extended Systems.
CoRR, 2019

2015
AiiDA: Automated Interactive Infrastructure and Database for Computational Science.
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.
Comput. Phys. Commun., 2014

BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis.
Comput. Phys. Commun., 2014


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