Machine-guided path sampling to discover mechanisms of molecular self-organization

Hendrik Jung, Roberto Covino, A. Arjun, Christian Leitold, Christoph Dellago, Peter G. Bolhuis, Gerhard Hummer. Machine-guided path sampling to discover mechanisms of molecular self-organization. Nat. Comput. Sci., 3(4):334-345, 2023. [doi]

Authors

Hendrik Jung

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Roberto Covino

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A. Arjun

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Christian Leitold

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Christoph Dellago

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Peter G. Bolhuis

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Gerhard Hummer

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