138 citations · 392 across the 23 of their papers we have counts for
3 papers · 1 filter
Active Deep Kernel Learning of Molecular Properties: Realizing Dynamic Structural Embeddings
Ayana Ghosh, Maxim Ziatdinov, Sergei V. Kalinin
As vast databases of chemical identities become increasingly available, the challenge shifts to how we effectively explore and leverage these resources to study molecular propertie…
Discovery of structure-property relations for molecules via hypothesis-driven active learning over the chemical space
Ayana Ghosh, Sergei V. Kalinin, Maxim A. Ziatdinov
Discovery of the molecular candidates for applications in drug targets, biomolecular systems, catalysts, photovoltaics, organic electronics, and batteries, necessitates development…
Automated and Autonomous Experiment in Electron and Scanning Probe Microscopy
Sergei V. Kalinin, Maxim A. Ziatdinov, Jacob Hinkle +6
Machine learning and artificial intelligence (ML/AI) are rapidly becoming an indispensable part of physics research, with domain applications ranging from theory and materials pred…