Calendar of Events
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CCP5++ Software Seminar Series: Sampling, detecting, and analysing collective arrangements in atomistic simulations
CCP5++ Software Seminar Series: Sampling, detecting, and analysing collective arrangements in atomistic simulations
In this seminar, I will discuss methods to sample, detect, and analyse the collective arrangement of crystal building blocks based on the definition of collective variables and on the application of clustering algorithms.
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IWOM 2021: International Workshop on Charge Transport and Excited State Processes in Organic Materials
Bringing together theorists, computational and experimental scientists working in the area of organic materials for electronic applications.
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MMM Hub Software Spotlight: ONETEP
MMM Hub Software Spotlight: ONETEP
Venue: Join Zoom Meeting https://ucl.zoom.us/j/99746496587?pwd=UUJHeFBzU3p1a0crTEh2T1lrNUFrUT09 Meeting ID: 997 4649 6587 Passcode: TYCSWS Contact: George BoothEmail: george.booth@kcl.ac.uk In the second of the MMM Hub/TYC 'Software Spotlight' event series, we will be looking at the ONETEP package for linear-scaling density functional theory calculations with controllable accuracy. The favourable scaling of this package has allowed it to be pushed […]