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  Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials

Pampel, B., & Valsson, O. (2022). Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials. Journal of Chemical Theory and Computation, 18(7), 4127-4141. doi:10.1021/acs.jctc.2c00197.

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2022-06-Pampel-Valsson-acs.jctc.2c00197.pdf (Publisher version), 4MB
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2022-06-Pampel-Valsson-acs.jctc.2c00197.pdf
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 Creators:
Pampel, Benjamin1, Author           
Valsson, Omar1, 2, Author           
Affiliations:
1Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society, ou_1800287              
2Department of Chemistry, University of North Texas, Texas, United States, ou_persistent22              

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Language(s): eng - English
 Dates: 2022-06-282022-07-12
 Publication Status: Published in print
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 Rev. Type: -
 Identifiers: DOI: 10.1021/acs.jctc.2c00197
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Title: Journal of Chemical Theory and Computation
  Other : J. Chem. Theory Comput.
Source Genre: Journal
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Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 18 (7) Sequence Number: - Start / End Page: 4127 - 4141 Identifier: ISSN: 1549-9618
CoNE: https://pure.mpg.de/cone/journals/resource/111088195283832