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COSMO - Laboratory of Computational Science and Modelling

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1.	PDF document Wandering principal optical axes in van der Waals triclinic materials Ermolaev, Georgy A. ; Voronin, Kirill V. ; Toksumakov, Adilet N. ; Grudinin, Dmitriy V.[...] Nature Communications, 15 (1), 1552 (2024) 06 March 2024 \| Journal Articles \| Detailed record - Similar records
2.	Thermal transport of glasses via machine learning driven simulations Pegolo, Paolo ; Grasselli, Federico Frontiers In Materials, 11, 1369034 (2024) 06 March 2024 \| Journal Articles \| Detailed record - Similar records
3.	PDF Mazitov_2024_J._Phys._Mater._7_025007 Surface segregation in high-entropy alloys from alchemical machine learning Mazitov, Arslan ; Springer, Maximilian A. ; Lopanitsyna, Nataliya ; Fraux, Guillaume[...] Journal Of Physics-Materials, 7 (2), 025007 (2024) 01 April 2024 \| Journal Articles \| Detailed record - Similar records
4.	Efficient and insightful descriptors for representing molecular and material space Goscinski, Alexander Jan ; Ceriotti, Michele 2024 \| Theses \| Detailed record - Similar records
5.	Self-interaction and transport of solvated electrons in molten salts Pegolo, Paolo ; Baroni, Stefano ; Grasselli, Federico Journal Of Chemical Physics, 159 (9), 094116 (2023) 07 September 2023 \| Journal Articles \| Detailed record - Similar records
6.	Multiscale Modeling of Aqueous Electric Double Layers Becker, Maximilian ; Loche, Philip Robin ; Rezaei, Majid ; Wolde-Kidan, Amanuel[...] Chemical Reviews, 124 (1), 1-26 (2023) 20 December 2023 \| Reviews \| Detailed record - Similar records
7.	Accuracy Assessment of Atomistic Neural Network Potentials: The Impact of Cutoff Radius and Message Passing Xia, Junfan ; Zhang, Yaolong ; Jiang, Bin Journal Of Physical Chemistry A, 127 (46), 9874-9883 (2023) 09 November 2023 \| Journal Articles \| Detailed record - Similar records
8.	Accelerated chemical science with AI Back, Seoin ; Aspuru-Guzik, Alan ; Ceriotti, Michele ; Gryn'ova, Ganna[...] Digital Discovery, 3 (1), 23-33 (2024) 06 December 2023 \| Journal Articles \| Detailed record - Similar records
9.	PDF document Natural aging and vacancy trapping in Al-6xxx Jain, Abhinav C. P. ; Ceriotti, M. ; Curtin, W. A. Journal Of Materials Research (2023) 21 December 2023 \| Journal Articles \| Detailed record - Similar records
10.	Physics-Inspired Equivariant Descriptors of Nonbonded Interactions Huguenin-Dumittan, Kevin Kazuki ; Loche, Philip Robin ; Haoran, Ni ; Ceriotti, Michele Journal Of Physical Chemistry Letters, 14 (43), 9612-9618 (2023) 20 October 2023 \| Journal Articles \| Detailed record - Similar records

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