Computing committors in collective variables via Mahalanobis diffusion maps
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Publication:2689136
DOI10.1016/j.acha.2023.01.001MaRDI QIDQ2689136
Maria Kourkina Cameron, Luke Evans, Pratyush Tiwary
Publication date: 9 March 2023
Published in: Applied and Computational Harmonic Analysis (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/2108.08979
anisotropic diffusion; collective variables; Lennard-Jones; diffusion map; committor; Alanine dipeptide
Uses Software