Computational Modelling Group

Past Events related to Density functional Theory

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

May 2017

8th May 2:00 p.m.

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

May 2016

11th May 2:00 p.m.

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

August 2013

19th August 9:00 a.m.

CASTEP Workshop August 2013 - Oxford

March 2013

8th March 4:00 p.m.

The End of Atomistic Simulation?

November 2012

30th November 9:00 a.m.

Young Modellers Forum 2012: Call for Registrations and Abstracts

September 2012

4th September 2:00 p.m.

Into the Looking Glass and What the Quantum Chemist Found There

June 2012

1st June 4:00 p.m.

Simulations of conformational dynamics along the p53-mdm2 pathway

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

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!

April 2011

8th April 3:30 p.m.

Modulation of crystal nucleation: Insights from molecular simulation

March 2011

17th March 10:30 a.m.

Modeling transition metal and actinide chemistry with multiconfigurational quantum chemical methods

2nd March 2:00 p.m.

Computational Coordination Chemistry

February 2011

11th February 3:30 p.m.

Biomolecular studies from linear-scaling density functional theory calculations with thousands of atoms

2nd February 2:00 p.m.

Complex Systems Simulation Doctoral Training Centre: Open Day Event

May 2010

25th May 3:30 p.m.

Crystal structures from nothing - dense matter from random numbers

April 2010

27th April 3:30 p.m.

Protein dynamics and enzyme catalysis: insights from simulations

March 2010

16th March 3:30 p.m.

Computational Studies of Nanoalloy Clusters

February 2010

16th February 3:30 p.m.

Quantum Chemical Topology: a route to next generation force fields?