A. H. Larsen

发表

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

N. A. Romero, J. Nørskov, K. Jacobsen, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

Modeling electron dynamics coupled to continuum states in finite volumes with absorbing boundaries

Angel Rubio, Umberto De Giovannini, Ask Hjorth Larsen, 2014 .

Stark Ionization of Atoms and Molecules within Density Functional Resonance Theory

Angel Rubio, Umberto De Giovannini, Adam Wasserman, 2013, 1309.2925.

Finite Size Effects in Chemical Bonding: From Small Clusters to Solids

V. A. Morozov, N. A. Romero, V. Morozov, 2011 .

libvdwxc: a library for exchange–correlation functionals in the vdW-DF family

P. Hyldgaard, P. Erhart, M. Kuisma, 2017, 1703.06999.

Dynamical Processes in Open Quantum Systems from a TDDFT Perspective: Resonances and Electron Photoemission.

Á. Rubio, A. H. Larsen, U. de Giovannini, 2016, Topics in current chemistry.

A basic electro-topological descriptor for the prediction of organic molecule geometries by simple machine learning

Angel Rubio, A. H. Larsen, J. Jornet-Somoza, 2022, 2210.10700.

Modeling electron dynamics coupled to continuum states in finite volumes with absorbing boundaries

Á. Rubio, A. H. Larsen, U. Giovannini, 2014, 1409.1689.

Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project.

J Rossmeisl, A Tekin, G. D. Barmparis, 2009, The Journal of chemical physics.

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems.

Xavier Andrade, Joseba Alberdi-Rodriguez, David A. Strubbe, 2015, Physical chemistry chemical physics : PCCP.

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems.

David A. Strubbe, Shunsuke A. Sato, Alicia R. Welden, 2019, The Journal of chemical physics.

Localized atomic basis set in the projector augmented wave method

Kristian Sommer Thygesen, Karsten Wedel Jacobsen, Marco Vanin, 2009, 1303.0348.

Recent progress of the Computational 2D Materials Database (C2DB)

K. Thygesen, J. Mortensen, A. H. Larsen, 2021, 2D Materials.

Design and performance characterization of electronic structure calculations on massively parallel supercomputers: a case study of GPAW on the Blue Gene/P architecture

N.A. Romero, C. Glinsvad, A.H. Larsen, 2015, Concurr. Comput. Pract. Exp..

Atomic Simulation Recipes – A Python framework and library for automated workflows

K. Thygesen, J. Mortensen, A. H. Larsen, 2021, 2104.13431.

Balance of nanostructure and bimetallic interactions in Pt model fuel cell catalysts: in situ XAS and DFT study.

J. Nørskov, H. Ogasawara, V. Viswanathan, 2012, Journal of the American Chemical Society.

Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters.

Jens K Nørskov, Frank Abild-Pedersen, Karsten W Jacobsen, 2013, The journal of physical chemistry letters.

Localized surface plasmon resonance in silver nanoparticles: Atomistic first-principles time-dependent density-functional theory calculations

Jussi Enkovaara, Tapio T. Rantala, Mikael Kuisma, 2015, 1503.07234.

The CECAM electronic structure library and the modular software development paradigm.

David A. Strubbe, Stefano de Gironcoli, Yingzhou Li, 2020, The Journal of chemical physics.

Climbing the Activity Volcano: Core–Shell Ru@Pt Electrocatalysts for Oxygen Reduction

Arnold J. Forman, J. Nørskov, T. Jaramillo, 2014 .

Real-time time-dependent density functional theory implementation of electronic circular dichroism applied to nanoscale metal-organic clusters.

P. Rinke, M. Kuisma, A. H. Larsen, 2020, The Journal of chemical physics.

Optical excitations of chlorophyll a and b monomers and dimers.

D. J. Mowbray, A. H. Larsen, Keenan Lyon, 2019, The Journal of chemical physics.

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

N. A. Romero, J. Nørskov, K. Jacobsen, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

Spread-balanced Wannier functions: Robust and automatable orbital localization

K. Thygesen, A. H. Larsen, T. Olsen, 2021, Physical Review B.

Balance of nanostructure and bimetallic interactions in Pt model fuel cell catalysts: in situ XAS and DFT study.

J. Nørskov, H. Ogasawara, V. Viswanathan, 2012, Journal of the American Chemical Society.

and the paradigm.

David A. Strubbe, Micael J. T. Oliveira, Stefano de Gironcoli, 2020 .