Results 161 to 170 of about 15,495,898 (198)

Towards real dynamics in heterogeneous catalysis using machine learning interatomic potential simulations

Jiayan Xu
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Cluster-based Structural Similarity for Dataset Visualization and Data Selection for Machine Learning Interatomic Potentials [PDF]

Yuto Iwasaki, Miguel A. Caro
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Effect of Interlayer Bonding on Superlubric Sliding of Graphene Contacts: A Machine-Learning Potential Study. [PDF]

ACS Nano
Ying P, Natan A, Hod O, Urbakh M.
europepmc   +1 more source

Unlocking potential and learning to desist: exploring the transformation of a young offenders centre into a secure college

Keira Flanagan
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Parameter-Free and Electron Counting Satisfied Material Representation for Machine Learning Potential Energy and Force Fields. [PDF]

J Phys Chem Lett
Xi B, Chan MK, Bao K, Zhao W, Chan HM, Chen H, Zhu J.   +6 more
europepmc   +1 more source

Long-Range Machine Learning Interatomic Potentials for Defect Energetics in SrTiO$_3$ [PDF]

Yee Chit Wong, Marcel F. Langer, Reinhard J. Maurer, Nicholas D M Hine   +3 more
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Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for H₃O₂. [PDF]

J Phys Chem A
Pandey P, Arandhara M, Houston PL, Qu C, Conte R, Bowman JM, Ramesh SG.   +6 more
europepmc   +1 more source

Machine‐Learning Models Trained on Genomic Summary Statistics Assess Extinction Risk and Recovery Potential of Bottlenecked Populations

Johanna C. Winder, Jack N. Marsters, Thomas Birley, Jasmyn Gooding, Taoyang Wu, J. J. Groombridge, Morales Hernan, Cock van Oosterhout   +7 more
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Integrated Project-Based Learning Technology in Preschool Education and Its Didactic Potential

Kerimberdieva Gawhar
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Geometry Optimization Algorithms in Conjunction with the Machine Learning Potential ANI-2x Facilitate the Structure-Based Virtual Screening and Binding Mode Prediction. [PDF]

Biomolecules
Wang L, He X, Ji B, Han F, Niu T, Cai L, Zhai J, Hao D, Wang J.   +8 more
europepmc   +1 more source