Computational Modelling Group

Past Events related to Molecular Dynamics

Below are the events that have been offered though the CMG in the past.

September 2017

14th September 12:00 a.m.

The MMM Hub: Accelerating Materials and Molecular Modelling

May 2017

25th May 3:00 p.m.

Towards billion atom simulations of magnetic materials on ARCHER

8th May 2:00 p.m.

Dassault Systèmes state-of-the-art engineering design and simulation technologies

July 2016

11th July 8:00 a.m.

5-days Advanced Course on "The Role of Mechanics in the Study of Lipid Bilayers", coordinated by Prof. David Steigmann (UC Berkeley and University of Southampton), 11-15 July, 2016, Udine, ITALY

May 2016

11th May 2:00 p.m.

From Lithium Batteries to Perovskite Solar Cells: Atomic-Scale Insights into Energy Materials

November 2014

25th November 12:00 a.m.

Recent advances in the tribology and bioengineering of the skin

June 2014

4th June 2:00 p.m.

High Biomechanics of the neuromusculoskeletal system

1:00 p.m.

PyGBe: an electrostatics solver for biophysics using Python and GPUs

May 2014

16th May 2:30 p.m.

Modelling complex self assembly: the bad news is the good news

May 2013

10th May 4:00 p.m.

'Computational Photochemistry in Action: Charges, Crossings and Control

November 2012

30th November 9:00 a.m.

Young Modellers Forum 2012: Call for Registrations and Abstracts

October 2012

3rd October 9:00 a.m.

[HECToR] CECAM ScalaLife Workshop

September 2012

4th September 2:00 p.m.

Into the Looking Glass and What the Quantum Chemist Found There

August 2012

10th August 2:00 p.m.

Molecular simulation approaches to immunological recognition and regulation

May 2012

11th May 4:00 p.m.

Defining Hydrogen Bonds to Determine the Structure and Dynamics of Water

April 2012

27th April 2:00 p.m.

Computational challenges in wavefunction-based electronic structure theory

13th April 4:00 p.m.

First-principles vibrational spectroscopy and lattice dynamics of materials in the solid state

March 2012

23rd March 4:00 p.m.

The Effect of Charge on Boundary Layer Lubrication

16th March 2:00 p.m.

Theory and Simulation of Biomolecular Systems: Surmounting the Challenge of Bridging the Scales

December 2011

13th December 2:00 p.m.

Analyzing biomacromolecular flexibility by constraint counting

November 2011

30th November 1:00 p.m.

Overcoming frustration with local elevation: enhancing the sampling in biomolecular simulations biased with experimental data

22nd November 10:00 a.m.

Modelling the Solid State: From oxygen storage capacity to transparent semiconductors

October 2011

19th October 4:15 p.m.

Biofluiddynamics of flight as an inspiration for design

September 2011

23rd September 2:00 p.m.

New Developments in Semiempirical MO Theory for Drug and Materials Design. (MGMS Lecture Tour Seminar)

16th September 2:00 p.m.

Molecular simulations of proteins undergoing fibrillation in neurodegenerative diseases

May 2011

20th May 3:30 p.m.

What is Wrong with Density Functional Theory?

13th May 3:30 p.m.

Molecular modeling - now fun and colorful!

10th May 2:00 p.m.

Squeezing the Matrix: polynomially scaling spin dynamics simulation algorithms

April 2011

8th April 3:30 p.m.

Modulation of crystal nucleation: Insights from molecular simulation

1st April 4:00 p.m.

The Origin and Evolution of Chemical Engines