Towards “on-demand” van der Waals epitaxy with adaptive ensemble sampling atomistic workflows

Digital Discovery 2026 Open access

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Authors: Soumendu Bagchi, Ankita Biswas, Prasanna Venkataraman Balachandran, Ayana Ghosh, Panchapakesan Ganesh
DOI: 10.1039/d6dd00049e
Cited by: 0

Abstract

A real-time bayesian sampling with computing-resource scalable ensemble molecular dynamics workflow uncovers crystallization pathways for on-demand target moire twisted MoS 2 bi-layers from amorphous precursors.

Fields of Study & Subjects

Machine Learning in Materials Science 2D Materials and Applications Catalysis and Oxidation Reactions

Publication details

Journal / source
Digital Discovery
Volume
5
Issue
8
Pages
3212–3223
Publication date
1 January 2026
Language
EN