publication . Other literature type . Preprint . Article . 2018

Adaptive resolution molecular dynamics technique: Down to the essential

Christoph Junghans; Christoph Junghans; Christoph Junghans; Christoph Junghans; Matej Praprotnik; Luigi Delle Site;
Open Access English
  • Published: 12 Jul 2018 Journal: The Journal of Chemical Physics, volume 149, issue 2, page 24,104 (issn: 0021-9606, eissn: 1089-7690, Copyright policy)
  • Publisher: AIP Publishing
Abstract
Comment: Accepted in Journal of Chemical Physics
Persistent Identifiers
Subjects
free text keywords: Physics - Computational Physics, Condensed Matter - Mesoscale and Nanoscale Physics, Condensed Matter - Soft Condensed Matter, Condensed Matter - Statistical Mechanics, Physics - Chemical Physics, Physical and Theoretical Chemistry, General Physics and Astronomy, Molecule, Liquid water, Thermostat, law.invention, law, Coupling, Ionic liquid, chemistry.chemical_compound, chemistry, Molecular dynamics, Biological system, Adaptive resolution, Materials science, Thermodynamic equilibrium
Funded by
EC| E-CAM
Project
E-CAM
An e-infrastructure for software, training and consultancy in simulation and modelling
  • Funder: European Commission (EC)
  • Project Code: 676531
  • Funding stream: H2020 | RIA
Validated by funder

1M. Praprotnik, L. Delle Site, and K. Kremer, J. Chem. Phys. 123, 224106 (2005) 2M. Praprotnik, L. Delle Site, and K. Kremer, Annu. Rev. Phys. Chem. 59, 545 (2008) 3B. Ensing, S. O. Nielsen, P. B. Moore, M. L. Klein, and M. Parrinello, J. Chem. Theory Comput. 3, 1100 (2007) 4A. Heyden and D. G. Truhlar, J. Chem. Theory Comput. 4, 217 (2008) 5L. Mones, A. Jones, A. W. Gotz, T. Laino, R. C. Walker, B. Leimkuhler, G. Csanyi and N. Bernstein, J. Comput. Chem., 36, 633, (2015)

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