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
24 November 2013
New multigrid solver with superior performance on parallel computers dramatically speeds up calculations with ONETEP's implicit solvent model.
21 November 2013
The UK's new supercomputer, ARCHER has recently come online. It is a fantastic machine for ONETEP. See here for some performance benchmarks showing scaling of large jobs.