Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon
Lysogorskiy, Yury, Oord, Cas van der, Bochkarev, Anton, Menon, Sarath, Rinaldi, Matteo, Hammerschmidt, Thomas, Mrovec, Matous, Thompson, Aidan, Csányi, Gábor, Ortner, Christoph, Drautz, Ralf
Published in npj computational materials (28.06.2021)
Published in npj computational materials (28.06.2021)
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Journal Article
Aftershocks following crash of currency exchange rate: The case of RUB/USD in 2014
Usmanova, Vasilya, Lysogorskiy, Yury V., Abe, Sumiyoshi
Published in Europhysics letters (01.02.2018)
Published in Europhysics letters (01.02.2018)
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Journal Article
Predicting structure zone diagrams for thin film synthesis by generative machine learning
Banko, Lars, Lysogorskiy, Yury, Grochla, Dario, Naujoks, Dennis, Drautz, Ralf, Ludwig, Alfred
Published in Communications materials (26.03.2020)
Published in Communications materials (26.03.2020)
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Journal Article
Non-collinear magnetic atomic cluster expansion for iron
Rinaldi, Matteo, Mrovec, Matous, Bochkarev, Anton, Lysogorskiy, Yury, Drautz, Ralf
Published in npj computational materials (11.01.2024)
Published in npj computational materials (11.01.2024)
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Journal Article
Multilayer atomic cluster expansion for semilocal interactions
Bochkarev, Anton, Lysogorskiy, Yury, Ortner, Christoph, Csányi, Gábor, Drautz, Ralf
Published in Physical review research (01.11.2022)
Published in Physical review research (01.11.2022)
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Journal Article
Crystallography companion agent for high-throughput materials discovery
Maffettone, Phillip M, Banko, Lars, Cui, Peng, Lysogorskiy, Yury, Little, Marc A, Olds, Daniel, Ludwig, Alfred, Cooper, Andrew I
Published in Nature Computational Science (01.04.2021)
Published in Nature Computational Science (01.04.2021)
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Journal Article
Mössbauer spectroscopy evidence of intrinsic non‐stoichiometry in iron telluride single crystals
Kiiamov, Airat G., Lysogorskiy, Yury V., Vagizov, Farit G., Tagirov, Lenar R., Tayurskii, Dmitrii A., Croitori, Dorina, Tsurkan, Vladimir, Loidl, Alois
Published in Annalen der Physik (01.04.2017)
Published in Annalen der Physik (01.04.2017)
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Journal Article
Atomic Cluster Expansion for Quantum-Accurate Large-Scale Simulations of Carbon
Qamar, Minaam, Mrovec, Matous, Lysogorskiy, Yury, Bochkarev, Anton, Drautz, Ralf
Published in Journal of chemical theory and computation (08.08.2023)
Published in Journal of chemical theory and computation (08.08.2023)
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Journal Article
Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition
Sutton, Christopher, Ghiringhelli, Luca M., Yamamoto, Takenori, Lysogorskiy, Yury, Blumenthal, Lars, Hammerschmidt, Thomas, Golebiowski, Jacek R., Liu, Xiangyue, Ziletti, Angelo, Scheffler, Matthias
Published in npj computational materials (18.11.2019)
Published in npj computational materials (18.11.2019)
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Journal Article
Adsorption of Helium Atoms on Two-Dimensional Substrates
Burganova, Regina, Lysogorskiy, Yury, Nedopekin, Oleg, Tayurskii, Dmitrii
Published in Journal of low temperature physics (01.12.2016)
Published in Journal of low temperature physics (01.12.2016)
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Journal Article
Correlations of Composition, Structure, and Hardness in the High-Entropy Alloy System Nb–Mo–Ta–W
Xiao, Bin, Lysogorskiy, Yury, Savan, Alan, Bögershausen, Heidi, Pfetzing-Micklich, Janine, Raabe, Dierk, Drautz, Ralf, Ludwig, Alfred
Published in High Entropy Alloys & Materials (01.03.2023)
Published in High Entropy Alloys & Materials (01.03.2023)
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Journal Article
Efficient parameterization of transferable Atomic Cluster Expansion for water
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Journal Article
Reconciling Experimental and Theoretical Data in the Structural Analysis of Ti–Ta Shape-Memory Alloys
Ferrari, Alberto, Kadletz, Peter M., Chakraborty, Tanmoy, Liao, Kunyen, Langenkämper, Dennis, Motemani, Yahya, Paulsen, Alexander, Lysogorskiy, Yury, Frenzel, Jan, Rogal, Jutta, Ludwig, Alfred, Somsen, Christoph, Drautz, Ralf, Schmahl, Wolfgang W.
Published in Shape memory and superelasticity : advances in science and technology (15.03.2019)
Published in Shape memory and superelasticity : advances in science and technology (15.03.2019)
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Journal Article
Atomic cluster expansion for quantum-accurate large-scale simulations of carbon
Qamar, Minaam, Mrovec, Matous, Lysogorskiy, Yury, Bochkarev, Anton, Drautz, Ralf
Published in arXiv.org (12.06.2023)
Published in arXiv.org (12.06.2023)
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Paper
Journal Article
Non-collinear Magnetic Atomic Cluster Expansion for Iron
Rinaldi, Matteo, Mrovec, Matous, Bochkarev, Anton, Lysogorskiy, Yury, Drautz, Ralf
Published in arXiv.org (24.05.2023)
Published in arXiv.org (24.05.2023)
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Journal Article