Works matching IS 19516355 AND DT 2015 AND VI 224 AND IP 12

Results: 29

Thermodynamic consistency and other challenges in coarse-graining models.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2177, doi. 10.1140/epjst/e2015-02407-x

By:

Guenza, M.

Publication type:

Article

Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2289, doi. 10.1140/epjst/e2015-02412-1

By:

Kreis, K.;
Fogarty, A.;
Kremer, K.;
Potestio, R.

Publication type:

Article

An introduction to the problem of bridging quantum and classical dynamics.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2305, doi. 10.1140/epjst/e2015-02413-0

By:

Bonella, S.;
Ciccotti, G.

Publication type:

Article

Accelerated dynamics: Mathematical foundations and algorithmic improvements.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2429, doi. 10.1140/epjst/e2015-02420-1

By:

Lelièvre, T.

Publication type:

Article

Effective interactions and large deviations in stochastic processes.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2351, doi. 10.1140/epjst/e2015-02416-9

By:

Jack, R.;
Sollich, P.

Publication type:

Article

A critical appraisal of Markov state models.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2445, doi. 10.1140/epjst/e2015-02421-0

By:

Schütte, Ch.;
Sarich, M.

Publication type:

Article

Adaptive resolution simulation in equilibrium and beyond.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2269, doi. 10.1140/epjst/e2015-02411-2

By:

Wang, H.;
Agarwal, A.

Publication type:

Article

A generalized-Yvon-Born-Green method for coarse-grained modeling.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2193, doi. 10.1140/epjst/e2015-02408-9

By:

Rudzinski, J.;
Noid, W.

Publication type:

Article

Reactive flows and unproductive cycles for random walks on complex networks.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2369, doi. 10.1140/epjst/e2015-02417-8

By:

Banisch, R.;
Djurdjevac Conrad, N.;
Schütte, Ch.

Publication type:

Article

Free energies for rare events: Temperature accelerated MD and MC.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2389, doi. 10.1140/epjst/e2015-02418-7

By:

Meloni, S.;
Ciccotti, G.

Publication type:

Article

Practical and conceptual path sampling issues.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2409, doi. 10.1140/epjst/e2015-02419-6

By:

Bolhuis, P.;
Dellago, C.

Publication type:

Article

Multiscale molecular dynamics/hydrodynamics implementation of two dimensional 'Mercedes Benz' water model.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2217, doi. 10.1140/epjst/e2015-02409-8

By:

Scukins, A.;
Nerukh, D.;
Pavlov, E.;
Karabasov, S.;
Markesteijn, A.

Publication type:

Article

Open boundary molecular dynamics.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2331, doi. 10.1140/epjst/e2015-02415-x

By:

Delgado-Buscalioni, R.;
Sablić, J.;
Praprotnik, M.

Publication type:

Article

Pseudo generators for under-resolved molecular dynamics.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2463, doi. 10.1140/epjst/e2015-02422-y

By:

Bittracher, A.;
Hartmann, C.;
Junge, O.;
Koltai, P.

Publication type:

Article

Coarse-graining polymer solutions: A critical appraisal of single- and multi-site models.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2239, doi. 10.1140/epjst/e2015-02410-3

By:

D'Adamo, G.;
Menichetti, R.;
Pelissetto, A.;
Pierleoni, C.

Publication type:

Article

Scale bridging in molecular simulation.

Published in:

2015

By:

Hartmann, Carsten;
Delle Site, Luigi

Publication type:

Editorial

Advancements in multi scale modeling: Adaptive resolution simulations and related issues.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2491, doi. 10.1140/epjst/e2015-02529-1

By:

Guenza, Marina

Publication type:

Article

Comments on 'Adaptive resolution simulation in equilibrium and beyond' by H. Wang and A. Agarwal.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2497, doi. 10.1140/epjst/e2015-02530-8

By:

Klein, R.

Publication type:

Article

Reply to comments by R. Klein on 'Open boundary molecular dynamics'.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2511, doi. 10.1140/epjst/e2015-02536-2

By:

Delgado-Buscalioni, R.;
Sablić, J.;
Praprotnik, M.

Publication type:

Article

The trees and the forest.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2515, doi. 10.1140/epjst/e2015-02537-1

By:

Ciccotti, G.;
Vanden-Eijnden, E.

Publication type:

Article

Reply to comments by R. Klein on Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2505, doi. 10.1140/epjst/e2015-02533-5

By:

Kreis, K.;
Fogarty, A.;
Kremer, K.;
Potestio, R.

Publication type:

Article

Comment on 'An introduction to the problem of bridging quantum and classical dynamics' by S. Bonella and G. Ciccotti.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2507, doi. 10.1140/epjst/e2015-02534-4

By:

Leimkuhler, B.

Publication type:

Article

Comments on 'Open boundary molecular dynamics' by R. Delgado-Buscalioni, J. Sablić and M. Praprotnik.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2509, doi. 10.1140/epjst/e2015-02535-3

By:

Klein, R.

Publication type:

Article

Reply to comment by R. Klein on 'Adaptive resolution simulation in equilibrium and beyond'.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2501, doi. 10.1140/epjst/e2015-02531-7

By:

Wang, Han;
Agarwal, Animesh

Publication type:

Article

Comments on 'Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations' by K. Kreis, A.C. Fogarty, K. Kremer and R. Potestio.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2503, doi. 10.1140/epjst/e2015-02532-6

By:

Klein, R.

Publication type:

Article

Comments on 'A critical appraisal of Markov state models' by M. Sarich and C. Schütte.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2521, doi. 10.1140/epjst/e2015-02539-y

By:

Skeel, Robert

Publication type:

Article

Comment on 'Pseudo generators for under-resolved molecular dynamics' by A. Bittracher, C. Hartmann, O. Junge and P. Koltai.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2525, doi. 10.1140/epjst/e2015-02540-6

By:

Leimkuhler, B.

Publication type:

Article

Continuum simulations of water flow past fullerene molecules.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2321, doi. 10.1140/epjst/e2015-02414-y

By:

Popadić, A.;
Praprotnik, M.;
Koumoutsakos, P.;
Walther, J.

Publication type:

Article

Comments on 'Reactive flows and unproductive cycles for random walks on complex networks' by R. Banisch, N. Djurdjevac-Conrad and C. Schütte.

Published in:

European Physical Journal: Special Topics, 2015, v. 224, n. 12, p. 2519, doi. 10.1140/epjst/e2015-02538-0

By:

Leimkuhler, B.

Publication type:

Article