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July 2024

Lambda-ABF with COLVARS

1 year ago 1 year agoJean-Philip Piquemalnews

New article published in JCTC: « Lambda-ABF: Simplified, Accurate and Cost-effective Alchemical Free Energy Computations«  by L. Lagardère, L. Maurin, O. Adjoua, K. El Hage, P. Monmarché, J.-P. Piquemal, J. Hénin, J....

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    Jean-Philip Piquemal - Sorbonne Université, Laboratoire de Chimie Théorique, UMR 7616 CNRS, CC137, 4 Place Jussieu, Tour 12-13, 4ème étage, 75252 Paris Cedex 05, France. E-mail: jean-philip.piquemal at sorbonne-universite.fr Tel : (+33) 1.44.27.25.04