Memory dependent PAth Sampling methods for understanding long TIMEscale molecular processes

Project Information

PASTIME

Grant agreement ID: 101086145

DOI

10.3030/101086145

EC signature date 17 March 2023

Start date 1 September 2023

End date 31 August 2028

Funded under

• European Research Council (ERC)

Total cost

€ 2 000 000,00

EU contribution

€ 2 000 000,00

Coordinated by

UNIVERSITEIT GENT
Belgium

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Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (4)

Journal of Computational Chemistry

Author(s): Wouter Vervust; Daniel T. Zhang; An Ghysels; Sander Roet; Titus S. van Erp; Enrico Riccardi
Published in: Journal of Computational Chemistry, 2024, ISSN 0192-8651
Publisher: Wiley
DOI: 10.1002/JCC.27319

Proceedings of the National Academy of Sciences of the United States of America

Author(s): Wouter Vervust; Sina Safaei; Katja Witschas; Luc Leybaert; An Ghysels
Published in: Proceedings of the National Academy of Sciences, 2025, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/PNAS.2422437122

Journal of Chemical Theory and Computation

Author(s): Samaneh Davoudi; Petteri A. Vainikka; Siewert J. Marrink; An Ghysels
Published in: Journal of Chemical Theory and Computation, 2024, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/ACS.JCTC.4C01348

Journal of Chemical Theory and Computation

Author(s): Samaneh Davoudi; Koen Raemdonck; Kevin Braeckmans; An Ghysels
Published in: Journal of Chemical Information and Modeling, 2023, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/ACS.JCIM.3C00936