Works matching IS 19516355 AND DT 2016 AND VI 225 AND IP 8/9

Results: 33

The raspberry model for protein-like particles: Ellipsoids and confinement in cylindrical pores.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1643, doi. 10.1140/epjst/e2016-60089-7

By:

Ustach, Vincent D.;
Faller, Roland

Publication type:

Article

Chemical potential calculations in dense liquids using metadynamics.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1621, doi. 10.1140/epjst/e2016-60094-x

By:

Perego, C.;
Giberti, F.;
Parrinello, M.

Publication type:

Article

A hybrid particle-continuum resolution method and its application to a homopolymer solution.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1527, doi. 10.1140/epjst/e2016-60096-8

By:

Qi, S.;
Behringer, H.;
Raasch, T.;
Schmid, F.

Publication type:

Article

Avoiding traps in trajectory space: Metadynamics enhanced transition path sampling.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1609, doi. 10.1140/epjst/e2016-60106-y

By:

Borrero, E.E.;
Dellago, C.

Publication type:

Article

Optimized atomistic force fields for aqueous solutions of Magnesium and Calcium Chloride: Analysis, achievements and limitations.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1391, doi. 10.1140/epjst/e2016-60112-7

By:

Elfgen, Roman;
Hülsmann, Marco;
Krämer, Andreas;
Köddermann, Thorsten;
Kirschner, Karl N.;
Reith, Dirk

Publication type:

Article

Simulations of stretching a flexible polyelectrolyte with varying charge separation.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1683, doi. 10.1140/epjst/e2016-60113-0

By:

Stevens, M.J.;
Saleh, O.A.

Publication type:

Article

Concurrent parametrization against static and kinetic information leads to more robust coarse-grained force fields.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1373, doi. 10.1140/epjst/e2016-60114-5

By:

Rudzinski, J.F.;
Bereau, T.

Publication type:

Article

Adaptive resolution simulation of an atomistic DNA molecule in MARTINI salt solution.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1595, doi. 10.1140/epjst/e2016-60117-8

By:

Zavadlav, J.;
Podgornik, R.;
Melo, M.N.;
Marrink, S.J.;
Praprotnik, M.

Publication type:

Article

Orientational dynamics in nematic liquid crystals.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1723, doi. 10.1140/epjst/e2016-60118-1

By:

Humpert, A.;
Masters, A.J.;
Allen, M.P.

Publication type:

Article

Switch-like surface binding of competing multivalent particles.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1673, doi. 10.1140/epjst/e2016-60119-6

By:

Tito, N.B.;
Frenkel, D.

Publication type:

Article

Comparison of iterative inverse coarse-graining methods.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1323, doi. 10.1140/epjst/e2016-60120-1

By:

Rosenberger, David;
Hanke, Martin;
van der Vegt, Nico F.A.

Publication type:

Article

Process-directed self-assembly of multiblock copolymers: Solvent casting vs spray coating.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1785, doi. 10.1140/epjst/e2016-60121-6

By:

Tang, Q.;
Tang, J.;
Müller, M.

Publication type:

Article

Fast relaxation of coarse-grained models of polymer interphases by hybrid particle-field molecular dynamics: Polystyrene-silica nanocomposites as an example.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1817, doi. 10.1140/epjst/e2016-60127-0

By:

De Nicola, Antonio;
Kawakatsu, Toshihiro;
Müller-Plathe, Florian;
Milano, Giuseppe

Publication type:

Article

A principle in dynamic coarse graining-Onsager principle and its applications.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1411, doi. 10.1140/epjst/e2016-60128-5

By:

Doi, M.

Publication type:

Article

A van der Waals density functional theory study of poly(vinylidene difluoride) crystalline phases.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1733, doi. 10.1140/epjst/e2016-60133-8

By:

Pelizza, F.;
Smith, B.R.;
Johnston, K.

Publication type:

Article

On the establishment of thermal diffusion in binary Lennard-Jones liquids.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1629, doi. 10.1140/epjst/e2016-60137-4

By:

Ferrario, M.;
Bonella, S.;
Ciccotti, G.

Publication type:

Article

Breaking a virus: Identifying molecular level failure modes of a viral capsid by multiscale modeling.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1757, doi. 10.1140/epjst/e2016-60141-2

By:

Krishnamani, V.;
Globisch, C.;
Peter, C.;
Deserno, M.

Publication type:

Article

Dynamics in entangled polyethylene melts.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1707, doi. 10.1140/epjst/e2016-60142-7

By:

Salerno, K. Michael;
Agrawal, Anupriya;
Peters, Brandon L.;
Perahia, Dvora;
Grest, Gary S.

Publication type:

Article

Thermal and mechanical properties of thermosetting polymers using coarse-grained simulation.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1775, doi. 10.1140/epjst/e2016-60143-0

By:

Jang, C.;
Abrams, C.F.

Publication type:

Article

Solvent effects on optical excitations of poly para phenylene ethynylene studied by QM/MM simulations based on many-body Green's functions theory.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1743, doi. 10.1140/epjst/e2016-60144-5

By:

Bagheri, B.;
Karttunen, M.;
Baumeier, B.

Publication type:

Article

Parametrizing coarse grained models for molecular systems at equilibrium.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1347, doi. 10.1140/epjst/e2016-60145-x

By:

Kalligiannaki, E.;
Chazirakis, A.;
Tsourtis, A.;
Katsoulakis, M.A.;
Plecháč, P.;
Harmandaris, V.

Publication type:

Article

Multi-scale simulation method for electroosmotic flows.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1551, doi. 10.1140/epjst/e2016-60146-3

By:

Guo, Lin;
Chen, Shiyi;
Robbins, Mark O.

Publication type:

Article

Current fluctuations in nanopores: The effects of electrostatic and hydrodynamic interactions.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1583, doi. 10.1140/epjst/e2016-60152-y

By:

Zorkot, Mira;
Golestanian, Ramin;
Bonthuis, Douwe Jan

Publication type:

Article

How walls affect the dynamics of self-phoretic microswimmers.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1843, doi. 10.1140/epjst/e2016-60148-1

By:

Ibrahim, Y.;
Liverpool, T.B.

Publication type:

Article

Directing the phase behavior of polyelectrolyte complexes using chiral patterned peptides.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1805, doi. 10.1140/epjst/e2016-60149-6

By:

Pacalin, Naomi M.;
Leon, Lorraine;
Tirrell, Matthew

Publication type:

Article

Static polarizability effects on counterion distributions near charged dielectric surfaces: A coarse-grained Molecular Dynamics study employing the Drude model.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1693, doi. 10.1140/epjst/e2016-60150-1

By:

Bordin, José Rafael;
Podgornik, Rudolf;
Holm, Christian

Publication type:

Article

Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1505, doi. 10.1140/epjst/e2016-60151-6

By:

Heidari, M.;
Cortes-Huerto, R.;
Donadio, D.;
Potestio, R.

Publication type:

Article

Representing environment-induced helix-coil transitions in a coarse grained peptide model.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1463, doi. 10.1140/epjst/e2016-60147-8

By:

Dalgicdir, Cahit;
Globisch, Christoph;
Sayar, Mehmet;
Peter, Christine

Publication type:

Article

Thermodynamic translational invariance in concurrent multiscale simulations of liquids.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1483, doi. 10.1140/epjst/e2016-60153-4

By:

Everaers, R.

Publication type:

Article

Comparison of systematic coarse-graining strategies for soluble conjugated polymers.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1441, doi. 10.1140/epjst/e2016-60154-9

By:

Scherer, C.;
Andrienko, D.

Publication type:

Article

Studying PMMA films on silica surfaces with generic microscopic and mesoscale models.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1423, doi. 10.1140/epjst/e2016-60155-2

By:

Zhang, J.;
Mukherji, D.;
Daoulas, K.Ch.

Publication type:

Article

Understanding the stiffness of macromolecules: From linear chains to bottle-brushes.

Published in:

European Physical Journal: Special Topics, 2016, v. 225, n. 8/9, p. 1663, doi. 10.1140/epjst/e2016-60017-5

By:

Binder, K.;
Hsu, H.-P.;
Paul, W.

Publication type:

Article

Editorial.

Published in:

2016

By:

Site, Luigi Delle;
Deserno, Markus;
Dünweg, Burkhard;
Holm, Christian;
Peter, Christine;
Pleiner, Harald

Publication type:

Editorial