Pavlo O. Dral
Max-Planck-Institut für Kohlenforschung
33 papers found
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MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows
UploadFour-Dimensional-Spacetime Atomistic Artificial Intelligence Models
UploadTunable Macrocyclic Polyparaphenylene Nanolassos via Copper‐Free Click Chemistry
Download from onlinelibrary.wiley.comEnergy-conserving molecular dynamics is not energy conserving
UploadMLatom 2: An Integrative Platform for Atomistic Machine Learning
UploadChoosing the right molecular machine learning potential
Download from doi.orgOn the feasibility of reactions through the fullerene wall: a theoretical study of NHx@C60
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