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Research
Density functional Theory
Events
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?