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Augustin Bussy
Augustin Bussy
Research Software Engineer, ETHZ/CSCS
Verified email at cscs.ch
Title
Cited by
Cited by
Year
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
26272020
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
272021
Predicting the charge density response in metal electrodes
A Grisafi, A Bussy, M Salanne, R Vuilleumier
Physical Review Materials 7 (12), 125403, 2023
152023
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
152021
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
152017
Sparse tensor based nuclear gradients for periodic Hartree–Fock and low-scaling correlated wave function methods in the CP2K software package: A massively parallel and GPU …
A Bussy, O Schütt, J Hutter
The Journal of Chemical Physics 158 (16), 2023
122023
Efficient periodic resolution-of-the-identity Hartree–Fock exchange method with k-point sampling and Gaussian basis sets
A Bussy, J Hutter
The Journal of Chemical Physics 160 (6), 2024
72024
Efficient linear-response time-dependent density functional theory method for large-scale X-ray absorption spectroscopy simulations
A Bussy
University of Zurich, 2021
2021
CP2K
TD Kuehne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ...
American Institute of Physics, 2020
2020
Strain-induced polar discontinuities in 2D materials from combined first-principles and Schrödinger–Poisson simulations
A Bussy, G Pizzi, M Gibertini
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