Report - CCP5

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27 Οκτ 2013 (πριν από 4 χρόνια και 11 μέρες)

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CCP5/RSC Workshop: “
Advances in
Theory and Simulation of
non
-
E
quilibrium
Systems”


A two
-
day
workshop entitled “Advances in Theory and Simulation of non
-
Equilibrium Systems” was held at Imperial College, London 26
-
27
th

June
2013. This event was organized through the Statistical Mechanics and
Thermodynamics Group (SMTG), part of the Royal Society of Chemistry. The
principal sponsor was CCP5 with additional financial support from SMTG and
the National Nuclear Laboratory

(
NNL)
.


The workshop was
organised
by Karl Travis and Fernando Bresme
. Both are
current members of SMTG, former executive committee members of CCP5
,
and have been active in the area of non
-
equilibrium simulation for a number of
years.


The aim of the works
hop was to review and discuss recent advances in the
development of non
-
equilibrium algorithms and the applications to which they
are increasing being employed, together with theoretical developments at the
level of statistical mechanics and classical ther
modynamics. The organisers
wanted to give
an opportunity for
PhD students

/ Research Associates

and
early career academics
to present their work but also to bring in invited
speakers who have made major contributions to the field.

The nine invited
speaker
s included: Denis Evans

(ANU, Australia)
, Dick Bedeaux

(Norway)
,
Peter Cummings

(Vanderbilt, USA)
, Billy Todd

(Swinburn, Australia)
, Peter
Daivis

(RMIT, Australia)
, Tim Spencer

(Sheffield Hallam)
, David Heyes

(Imperial College)
, Claire McCabe
(Vanderbilt, USA)
and Bernard Rousseau

(Paris Sud, France)
. In addition there were
19

contributed talks. The talks
were arranged into 8 sessions running over two full days with a social mixer
(sponsored by NNL) on the evening of the first day.

The full pro
gramme can
be viewed at (
http://www.ch.ic.ac.uk/bresme/webpage.htm
) or via the
attached pdf.


The workshop exceeded all expectations; a total of
55

delegates
, from
industry and academia,

registered for the meeting
.

T
he talks were of a very
high standard an
d the
re

was plenty of discussion f
ollowing each one. The
y

co
vered a wide range of topics from fundamentals of
non
-
equilibrium
statistical mechanics
, to nano
-
confined fluids through to Lattice Boltzmann
simulations

of multicomponent flows. Feedback received

during, and after the
workshop was so positive and praiseworthy that the organisers have decided
to have a similar meeting every 2 years. In addition, they
will be organizing

an
annual NEMD 1
-
day workshop designed for PhD students and involving a
series o
f lectures on NEMD methods and hands
-
on
practicals
, expanding on
the NEMD lecture and practical Karl Travis used to deliver at the CCP5
summer school

and the material that Fernando Bresme teaches at the CDT
on Theory and Simulations of Materials at Imperia
l, which covers liquid state
theory and
practicals

on computer simulations of molecular fluids
.

The venue
of this workshop will be decided at a later date.