Ask Hjorth Larsen

Technical University of Denmark — Denmark

Physics and Astronomy · Physical Sciences

17h-index9.2kcitations39works33.92yr avg
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Research Topics

Advanced Chemical Physics Studies(15), Machine Learning in Materials Science(10), Spectroscopy and Quantum Chemical Studies(8), Electrocatalysts for Energy Conversion(4), Molecular Junctions and Nanostructures(4)

Publications39 total

Ehrenfest dynamics with localized atomic-orbital basis sets within the projector augmented-wave method
The Journal of Chemical Physics·2025· 3 citedOpen Access
Roadmap on Advancements of the FHI-aims Software Package
JuSER Publikationsportal·2025Open Access
Taskblaster: a generic framework for automated computational workflows
Digital Discovery·2025· 1 citedOpen Access
Ehrenfest dynamics with localized atomic-orbital basis sets within the projector augmented-wave method
arXiv (Cornell University)·2024Open Access
Roadmap on methods and software for electronic structure based simulations in chemistry and materials
Electronic Structure·2024· 12 citedOpen Access
Symmetry classification of 2D materials: layer groups versus space groups
2D Materials·2024· 17 citedOpen Access
GPAW: An open Python package for electronic structure calculations
The Journal of Chemical Physics·2024· 204 citedOpen Access
GPAW: An open Python package for electronic-structure calculations
arXiv (Cornell University)·2023· 11 citedOpen Access
A basic electro-topological descriptor for the prediction of organic molecule geometries by simple machine learning
arXiv (Cornell University)·2022Open Access
Spread-balanced Wannier functions: Robust and automatable orbital localization
Physical review. B./Physical review. B·2021· 8 citedOpen Access
Atomic Simulation Recipes: A Python framework and library for automated workflows
Computational Materials Science·2021· 4 citedOpen Access
Spread balanced Wannier functions for robust and automated orbital localization
arXiv (Cornell University)·2021Open Access
Atomic Simulation Recipes -- a Python framework and library for\n automated workflows
arXiv (Cornell University)·2021Open Access
Data and Scripts for "Real-Time Time-Dependent Density Functional Theory Implementation of Electronic Circular Dichroism Applied to Nanoscale Metal-Organic Clusters"
Zenodo (CERN European Organization for Nuclear Research)·2020Open Access
Data and Scripts for "Real-Time Time-Dependent Density Functional Theory Implementation of Electronic Circular Dichroism Applied to Nanoscale Metal-Organic Clusters"
Zenodo (CERN European Organization for Nuclear Research)·2020Open Access
The CECAM electronic structure library and the modular software development paradigm.
Apollo (University of Cambridge)·2020· 40 citedOpen Access
Octopus a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Terrestrial Environment Research Center (University of Tsukuba)·2020· 131 citedOpen Access
Optical excitations of chlorophyll <i>a</i> and <i>b</i> monomers and dimers
The Journal of Chemical Physics·2019· 11 cited
Optical Excitations of Chlorophyll $a$ and $b$ Monomers and Dimers
PubMed·2019Open Access
Intrinsic core level photoemission of suspended monolayer graphene
2018
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Frequent Co-authors

Kristian S. Thygesen(14), Jens Jørgen Mortensen(9), Karsten W. Jacobsen(9), Mikael Kuisma(9), Jens K. Nørskov(8), Marcin Dułak(7), Thomas Olsen(7), Tuomas Rossi(7), Olga Lopez‐Acevedo(6), Nichols A. Romero(6), Jussi Enkovaara(5), Ángel Rubio(5), Jesper Kleis(5), Toma Susi(5), Jakob Schiøtz(4), Michael Walter(4), Umberto De Giovannini(4), Micael J. T. Oliveira(4), Vitali Morozov(4), Morten N. Gjerding(4)