Jens Jørgen Mortensen

Matching conditions in the quasicontinuum method: Removal of the error introduced at the interface between the coarse-grained and fully atomistic region

Tomotsugu Shimokawa, Karsten Wedel Jacobsen, Jakob Schiøtz, 2004 .

Local Bayesian optimizer for atomic structures

Karsten Wedel Jacobsen, K. Jacobsen, J. Mortensen, 2018, Physical Review B.

Localized non-orthogonal orbitals in silicon

Michele Parrinello, M. Parrinello, J. Mortensen, 2001 .

Reply to comment on ‘The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals’

Thomas Olsen, Mikkel Strange, Kristian S Thygesen, 2019, 2D Materials.

Ab initio molecular dynamics simulation of hydrogen fluoride at several thermodynamic states

Michele Parrinello, Helmut Bertagnolli, M. Parrinello, 2003 .