A geometric approach to constrained molecular dynamics and free energy
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Publication:2567546
DOI10.4310/CMS.2005.v3.n1.a1zbMath1078.65009OpenAlexW2156344846MaRDI QIDQ2567546
Carsten Hartmann, Christof Schütte
Publication date: 11 October 2005
Published in: Communications in Mathematical Sciences (Search for Journal in Brave)
Full work available at URL: https://projecteuclid.org/euclid.cms/1111095637
free energyaffine connectionmolecular dynamicsmetric entropynormal connectionhybrid Monte-Carlo algorithm
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