Welcome to the ONETEP webpage!
ONETEP (Order-N Electronic Total Energy Package) is a linear-scaling code for quantum-mechanical calculations based on density-functional theory.
Read this introduction for more details.
Latest News and Events
17 January 2020 Two long-standing members of the ONETEP community have recently been appointed to exciting new positions. Jolyon Aarons is shortly to move to China to be an Assistant Professor at Nankai University in Tianjin, and Tim Zuehlsdorff has accepted a position as an Assistant Professor at Oregon State University. We send our congratulations to both and wish them well in establishing their new research groups.
PS: As of today, the ONETEP website has moved to a new home, hosted by the Warwick Linux Hosting Service. If you notice any odd behaviour please contact Nick Hine.
29 August 2019 Karl Wilkinson prize awarded to Subhayan Roychoudhury
23 April 2019 Postdoctoral position on method development in ONETEP
30 Nov 2018 Save the Date! The next ONETEP Masterclass will be held at Arden Conference Centre, at the University of Warwick, Coventry, United Kingdom, from 27th to 30th August 2019. A signup form will follow in due course, but please start thinking about whether you or any of your colleagues would like to attend.
1 August 2018 Gabriel Constantinescu, who was until recently a PhD student in the TCM Group at the University of Cambridge, has won the IOP Computational Physics Group Prize for his thesis, which involves method development within ONETEP and applications of ONETEP to 2D materials systems. Gabriel's thesis, "Large-scale density functional theory study of van-der-Waals heterostructures", is available on the Cambridge repository website. An article by Gabriel will appear in the forthcoming IOP Computational Physics Group newsletter.