University of Bath » Mathematical Sciences » Johannes Zimmer
The software package MODOI (MOlecular Dynamics Over Ip), an implementation of the Birkhoff curve shortening procedure as a string method for Molecular Dynamics, is
online. It is written by Daniel Sutton, funded by
grant EPSRC
EP/K027743/1.
There is a simpler version of the code available,
online, also written by Daniel Sutton and funded by
EPSRC grant EP/K027743/1. The difference between the codes is that MODOI is an implementation of the Birkhoff
method using TCP/IP to distribute tasks over networked devices (rather than requiring HPC facilities). The
second code, GeometricMD, is a stripped down version of MODOI, designed for HPC; it uses all the cores of the
machine it runs on. So both codes implement exactly the same algorithm and only differ in the way they
parallelise.
A barebone implementation is
scikit-geodesic, see the
documentation.
| 2018 |
|---|
Part 1
and
Part 2 on Vimeo.
| 2017 |
|---|
| 2016 |
|---|
first meeting took place in Bath on 22 February 2016.
web site.
| 2015 |
|---|
Challenges in statistical mechanics: from mathematics to molecular dynamics to technological applications, Imperial College, 7-10 December 2015
Amit Acharya was a Leverhulme Visiting
Professor and Visiting Professor of Mathematical Sciences this autumn.
GW4 group in form of an Accelerator Grant Controlling Nucleation and Growth to Deliver Novel Materials Functionality. The other coordinators are
David Wright in Exeter,
Stefano Leoni in Cardiff and
Isaac
Chenchiah in Bristol.
| 2014 |
|---|
web site.
kick-off meeting of the
GW4 initiative `Functional Materials Far From Equilibrium' took place on 21 November in Bristol. The second meeting was held in Bath on 5 December.
GW4 initiative for a network `Functional Materials Far From Equilibrium'. The other coordinators are
David Wright in Exeter,
Nicolas Dirr in Cardiff and
Isaac
Chenchiah in Bristol.
Analysis of the effective long time-behaviour of molecular systems.
Nicolas Dirr.
Microscopic descriptions and mean-field equations in physics and social sciences took place in Bath 12-16 May 2014.
| 2013 |
|---|
CMS summer school `Microstructure: Evolution and Dynamics' will take place at the Technion, Haifa, 25-29 August 2013.
| 2012 |
|---|
Dietmar Hömberg and I are running an industry day on 22 November, with a delegation from Nippon Steel visiting Bath.
Dietmar Hömberg is visiting Bath for semester 1 in 2012/13.
| 2011 |
|---|
| 2010 |
|---|
Fronts and InteRfaces in Science and Technology.
| 2009 |
|---|
OxMOS
and the network Mathematical
Challenges of Molecular Dynamics. Organisers
are
John
Ball,
Jon
Chapman,
Gero
Friesecke,
Endre
Süli,
Weinan
E and myself.
Graeme
Ackland,
Giovanni
Ciccotti,
Roman
Schubert and
Florian
Theil.
| 2008 |
|---|
Wolfgang
König and Peter Mörters.
Srikanth
Phani.
| 2007 |
|---|
Bristol,
Edinburgh
and
Warwick.
Isabelle
Catto,
Isaac
Chenchiah and Ivan Veselić.
| 2006 |
|---|
Pierre-Louis Lions and
Timo Seppäläinen. Organisers are Roger Moser, Peter Mörters, Mathew Penrose,
Hartmut
Schwetlick and myself.
Carsten Carstensen
,
Rachel Kuske ,
Hans Mühlhaus and
myself. This summer school is linked to the summer schoon Complex Networks: Analysis, Control and
Applications held in Bristol in the following week (3-7
July 2006). Another related summer school ‘Dynamics of
Complex Systems’ will be held at Imperial in 2006.
Stephen
Watson, as part of the BAMC Colloquium 2006, 24-27 April
2006.
| 2005 |
|---|
Workshop on Dynamical Problems in Mathematical Materials
Science,
ICMS,
Edinburgh.