ONETEP Masterclass 2023

22nd August to 24th August 2023, Rutherford Appleton Laboratory, Oxfordshire, UK Organizers and tutors B. Ayers, A. Bhandari, J. Dziedzic and C.-K. Skylaris (University…

ONETEP Masterclass is now full

The ONETEP Masterclass 22-24 August 2023 is now full and we cannot accept any more applicants.

ONETEP Masterclass 22-24 August 2023

ONETEP is a leading linear-scaling DFT code for parallel computers for performing calculations with thousands of atoms with large basis set (plane waves) accuracy….

ONETEP training at RAL on 13/1/2023

A one-day ONETEP training event took place at the Rutherford Appleton Laboratory (RAL) for members of  the DIAMOND light source, the ISIS neutron and…

New ONETEP paper on strontium titanate defects

Researchers from the University of Technology of Gdansk, Poland have used ONETEP to perform large-scale DFT+U calculations on strontium titanate, a promising material for…

ONETEP Coding Retreat 2022

The ONETEP Coding Retreat 2022 took place from the 20th-22nd September, at the Rutherford Appleton Laboratory. The sixteen attendees, were from the ONETEP Developer…

ONETEP Academic Release version 6.0 is now available

Those with an existing license should contact Jacek Dziedzic for an updated version. Those not yet in possession of a License, see here for…

The UK’s new supercomputer, ARCHER2 has recently come online.

It is a very good machine for ONETEP – which is already available as a module. See here for some performance benchmarks showing scaling of…

Postdoctoral and PhD positions in Southampton