Release of UK Toscam, DMFT for ONETEP

TOSCAM (Toolbox for Strongly Correlated Approaches to Molecules), a DMFT implementation for the linear scaling UK softwareONETEP has recently been released. This is both an integration within ONETEP, but with an external open source engine available at .
The programme package is described in a couple of recently accepted publications:"
Journal of Chemical Theory and Computation


Mike Payne Birthday Celebration

This symposium celebrating the life and work of Professor Mike Payne (ex-Chair of CCP9) on the occasion of his 60th birthday was held at Pembroke College, Cambridge, on the 11th of January 2020. There were 18 invited talks from people who have worked closely with Mike at various stages of his career, covering both the areas of research in which Mike has been active as well as the communities he has supported.

Program & Photos


CCP9 renewal

The results of the recent EPSRC CCP grant call have been announced - the CCP9 proposal has been funded and with the full requested CoSeC allocation.


ONETEP Masterclass 2019

The ONETEP Masterclass 2019 took place at the Arden Conference Centre, University of Warwick, from 27th-30th August, organized by James Womack, Joly Aarons, Joseph Prentice, and Nicholas Hine. - Meeting Report


CCP renewal call

The CCP renewal call has just come out on the EPSRC website
CCP9 is due for renewal in this call and therefore a bid needs to be
put together.


Computational Materials Science Modelling 2019

The 6th Computational Molecular Meeting (CMS), was held at the University of Warwick from March 26th to March 29th, organized by Gabriele C. Sosso and Reinhard J. Maurer, both from Warwick University.. - Meeting Report

New Horizons in Materials modelling

This one-day meeting was held on 4th of January in the Bar Convent at York, organised by Matt Probert (York), Stewart Clark (Durham) and John Harding (Sheffield).. - Meeting Report

Forcefields: Status, Challenges, & Vision

The workshop took place from the 28th-29th January at Daresbury Laboratory, sponsored by CCP9, CCP5, UKCP, MCC, CCPBioSim and CECAM-UK Daresbury. - Workshop Report & Programme

ONETEP Coding Retreat

The ONETEP Coding Retreat 2018 took place from the 10th-14th September, at the Cedar House in the village of Castor, near Peterborough. - Workshop Report

IOP Computational Physics Group Annual PhD Thesis Prize 2018

2018 Recipient: Gabriel Constantinescu, University of Cambridge "Large-scale density functional theory study of van-der-Waals heterostructures"


Subscribe to RSS - News