output
19962026
most citedPropulsion of a molecular machine by asymmetric distribution of reaction--products

788 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2014Show all

13 papers · 1 filter

physics.chem-ph2014★ 19 cited

Excitation energies along a range-separated adiabatic connection

Elisa Rebolini, Julien Toulouse, Andrew M. Teale +2

We present a study of the variation of total energies and excitationenergies along a range-separated adiabatic connection. This connectionlinks the non-interacting Kohn-Sham electr…

physics.chem-ph2014

Excited states from range-separated density-functional perturbation theory

Elisa Rebolini, Julien Toulouse, Andrew M. Teale +2

We explore the possibility of calculating electronic excited states by using perturbation theory along a range-separated adiabatic connection. Starting from the energies of a parti…

physics.chem-ph2014★ 48 cited

Basis convergence of range-separated density-functional theory

Odile Franck, Bastien Mussard, Eleonora Luppi +1

Range-separated density-functional theory is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in s…

cond-mat.stat-mech2014★ 23 cited

Isometric fluctuation relations for equilibrium states with broken symmetry

D. Lacoste, P. Gaspard

We derive a set of isometric fluctuation relations, which constrain the order parameter fluctuations in finite-size systems at equilibrium and in the presence of a broken symmetry.…

cond-mat.stat-mech2014★ 6 cited

Stochastic thermodynamics of a tagged particle within a harmonic chain

David Lacoste, Michael A. Lomholt

We study the stochastic thermodynamics of an overdamped harmonic chain, which can be viewed equivalently as a 1D Rouse chain or as an approximate model of single file diffusion. We…

cond-mat.soft2014★ 10 cited

Electrostatic interactions in the presence of surface charge regulation: exact results

A. C. Maggs, R. Podgornik

We study the problem of charge regulation and its effects on electrostatic interactions between dissociable charge groups immersed in a univalent electrolyte, within a family of on…

physics.chem-ph2014★ 3 cited

Maximum probability domains for the analysis of the microscopic structure of liquids

Federica Agostini, Giovanni Ciccotti, Andreas Savin +1

We introduce the concept of maximum probability domains (MPDs), developed in the context of the analysis of electronic densities, in the study of the microscopic spatial structures…

q-bio.QM2014★ 193 cited

The Role of Projection in the Control of Bird Flocks

Daniel J. G. Pearce, A. M. Miller, George Rowlands +1

Swarming is a conspicuous behavioural trait observed in bird flocks, fish shoals, insect swarms and mammal herds. It is thought to improve collective awareness and offer protection…

physics.chem-ph2014★ 25 cited

Double-hybrid density-functional theory applied to molecular crystals

Kamal Sharkas, Julien Toulouse, Lorenzo Maschio +1

We test the performance of a number of two- and one-parameter double-hybrid approximations, combining semilocal exchange-correlation density functionals with periodic local second-…

physics.chem-ph2014★ 70 cited

Kohn-Sham potentials in exact density-functional theory at non-integer electron numbers

Tim Gould, Julien Toulouse

Within exact electron density-functional theory, we investigate Kohn-Sham (KS) potentials, orbital energies, and non-interacting kinetic energies of the fractional ions of Li, C an…

cond-mat.stat-mech2014★ 17 cited

Energy versus information based estimations of dissipation using a pair of magnetic colloidal particles

S. Tusch, A. Kundu, G. Verley +5

Using the framework of stochastic thermodynamics, we present an experimental study of a doublet of magnetic colloidal particles which is manipulated by a time-dependent magnetic fi…

physics.chem-ph2014★ 138 cited

Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions

Wuming Zhu, Julien Toulouse, Andreas Savin +1

Range-separated methods combining a short-range density functional with long-range random phase approximations RPAs with or without exchange response kernel are tested on rare-gas…

physics.chem-ph2014★ 134 cited

Correlation energy expressions from the adiabatic-connection fluctuation-dissipation theorem approach

János G. Angyán, Ru-Fen Liu, Julien Toulouse +1

We explore several random phase approximation (RPA) correlation energy variants within the adiabatic-connection fluctuation-dissipation theorem approach. These variants differ in t…