Augustin Bussy

ETH Zurich — Switzerland

Physics and Astronomy · Physical Sciences

7h-index3.8kcitations14works2.72yr avg
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Research Topics

Advanced Chemical Physics Studies(5), Spectroscopy and Quantum Chemical Studies(4), Quantum, superfluid, helium dynamics(3), Electrocatalysts for Energy Conversion(2), Material Dynamics and Properties(2)

Publications14 total

The CP2K Program Package Made Simple
The Journal of Physical Chemistry B·2026· 1 citedOpen Access
cp2k/cp2k: CP2K v2026.1
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
cp2k/cp2k: CP2K v2026.1
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
The CP2K Program Package Made Simple
University of Regensburg Publication Server (University of Regensburg)·2026Open Access
The CP2K Program Package Made Simple
arXiv (Cornell University)·2025Open Access
Efficient periodic resolution-of-the-identity Hartree–Fock exchange method with<b>k</b>-point sampling and Gaussian basis sets
The Journal of Chemical Physics·2024· 15 citedOpen Access
Predicting the charge density response in metal electrodes
Physical Review Materials·2023· 28 citedOpen Access
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 accelerated implementation
The Journal of Chemical Physics·2023· 16 citedOpen Access
Data for "Predicting the charge density response in metal electrodes"
arXiv (Cornell University)·2023Open Access
First-principles correction scheme for linear-response time-dependent density functional theory calculations of core electronic states
The Journal of Chemical Physics·2021· 17 citedOpen Access
Efficient and low-scaling linear-response time-dependent density functional theory implementation for core-level spectroscopy of large and periodic systems
Physical Chemistry Chemical Physics·2021· 38 citedOpen Access
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
The Journal of Chemical Physics·2020· 3.7k citedOpen Access
Strain-induced polar discontinuities in two-dimensional materials from combined first-principles and Schrödinger-Poisson simulations
Physical review. B./Physical review. B·2017· 16 citedOpen Access
Estimation of global and regional precipitation and anthropogenic climate change using scaling fluctuation analysis
EGU General Assembly Conference Abstracts·2014

Frequent Co-authors

Dorothea Golze(6), Jan Wilhelm(6), Matthias Krack(6), Jürg Hutter(6), Frederick Stein(5), Ole Schütt(5), Christoph Schran(5), Rocco Meli(5), Mathieu Taillefumier(4), Thomas D. Kühne(3), Patrick Seewald(3), Urban Borštnik(3), Alfio Lazzaro(3), Hans Pabst(3), Tiziano Müller(3), Robert R. Schade(3), Hossam Elgabarty(3), Anna-Sophia Hehn(3), Maximilian Graml(3), Harald Forbert(3)