Articles with public access mandates - Augustin BussyLearn more
Available somewhere: 5
CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations
TD Kühne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ...
The Journal of Chemical Physics 152 (19), 2020
Mandates: US Department of Energy, Swiss National Science Foundation, Natural Sciences …
Efficient and low-scaling linear-response time-dependent density functional theory implementation for core-level spectroscopy of large and periodic systems
A Bussy, J Hutter
Physical Chemistry Chemical Physics 23 (8), 4736-4746, 2021
Mandates: Swiss National Science Foundation
Predicting the charge density response in metal electrodes
A Grisafi, A Bussy, M Salanne, R Vuilleumier
Physical Review Materials 7 (12), 125403, 2023
Mandates: Swiss National Science Foundation, Agence Nationale de la Recherche
First-principles correction scheme for linear-response time-dependent density functional theory calculations of core electronic states
A Bussy, J Hutter
The Journal of Chemical Physics 155 (3), 034108, 2021
Mandates: Swiss National Science Foundation
Strain-induced polar discontinuities in two-dimensional materials from combined first-principles and Schrödinger-Poisson simulations
A Bussy, G Pizzi, M Gibertini
Physical Review B 96 (16), 165438, 2017
Mandates: European Commission
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