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EPJ ST - Special Topics

Special Topics

The European Physical Journal Special Topics

Discussion and Debate: Recurrent Problems in Scale Bridging Techniques in Molecular Simulation – What are the Current Options?

Carsten Hartmann and Luigi Delle Site (Guest editors)

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Addendum

Addendum to: Pseudo generators for under-resolved molecular dynamics - Eur. Phys. J. Special Topics 224, 2463–2490 (2015) DOI: 10.1140/epjst/e2015-02422-y

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

Published online: 15 December 2017

DOI: 10.1140/epjst/e2017-70091-7

Open Access

Editorial

Scale bridging in molecular simulation - Recurrent problems and current options

Carsten Hartmann and Luigi Delle Site

Published online: 21 September 2015

DOI: 10.1140/epjst/e2015-02406-y

Review

Thermodynamic consistency and other challenges in coarse-graining models

M. Guenza

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02407-x

Review

A generalized-Yvon-Born-Green method for coarse-grained modeling - Advances, Challenges, and Insight

J.F. Rudzinski and W.G. Noid

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02408-9

Multiscale molecular dynamics/hydrodynamics implementation of two dimensional “Mercedes Benz” water model

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

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02409-8

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

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

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02410-3

Adaptive resolution simulation in equilibrium and beyond

H. Wang and A. Agarwal

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02411-2

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

K. Kreis, A.C. Fogarty, K. Kremer and R. Potestio

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02412-1

Review

An introduction to the problem of bridging quantum and classical dynamics

S. Bonella and G. Ciccotti

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02413-0

Continuum simulations of water flow past fullerene molecules

A. Popadić, M. Praprotnik, P. Koumoutsakos and J.H. Walther

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02414-y

Review

Open boundary molecular dynamics

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

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02415-x

Effective interactions and large deviations in stochastic processes

R.L. Jack and P. Sollich

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02416-9

Reactive flows and unproductive cycles for random walks on complex networks

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

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02417-8

Review

Free energies for rare events: Temperature accelerated MD and MC

S. Meloni and G. Ciccotti

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02418-7

Review

Practical and conceptual path sampling issues

P.G. Bolhuis and C. Dellago

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02419-6

Review

Accelerated dynamics: Mathematical foundations and algorithmic improvements

T. Lelièvre

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02420-1

Review

A critical appraisal of Markov state models

Ch. Schütte and M. Sarich

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02421-0

Pseudo generators for under-resolved molecular dynamics

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

Published online: 22 June 2015

DOI: 10.1140/epjst/e2015-02422-y

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

Marina G. Guenza

Published online: 21 September 2015

DOI: 10.1140/epjst/e2015-02529-1

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

R. Klein

Published online: 21 September 2015

DOI: 10.1140/epjst/e2015-02530-8

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

Han Wang and Animesh Agarwal

Published online: 21 September 2015

DOI: 10.1140/epjst/e2015-02531-7

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

R. Klein

Published online: 21 September 2015

DOI: 10.1140/epjst/e2015-02532-6

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

K. Kreis, A.C. Fogarty, K. Kremer and R. Potestio

Published online: 21 September 2015

DOI: 10.1140/epjst/e2015-02533-5

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

B. Leimkuhler

Published online: 21 September 2015

DOI: 10.1140/epjst/e2015-02534-4

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

R. Klein

Published online: 21 September 2015

DOI: 10.1140/epjst/e2015-02535-3

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

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

Published online: 21 September 2015

DOI: 10.1140/epjst/e2015-02536-2

The trees and the forest - Aims and objectives of molecular dynamics simulations

G. Ciccotti and E. Vanden-Eijnden

Published online: 21 September 2015

DOI: 10.1140/epjst/e2015-02537-1

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

B. Leimkuhler

Published online: 21 September 2015

DOI: 10.1140/epjst/e2015-02538-0

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

Robert D. Skeel

Published online: 21 September 2015

DOI: 10.1140/epjst/e2015-02539-y

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

B. Leimkuhler

Published online: 21 September 2015

DOI: 10.1140/epjst/e2015-02540-6

Managing Editors
Sandrine Karpe and Vijala Kiruvanayagam (EDP Sciences) and Sabine Lehr (Springer-Verlag)

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Thank you very much, Isabelle! Very timely. And the cover looks fantastic! We are grateful for the great collaboration! Best wishes.

Dirk Helbing, ETH Zurich, Switzerland
Editor EPJ Special Topics 214, 2012

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ISSN: 1951-6355 (Print Edition)
ISSN: 1951-6401 (Electronic Edition)

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