Dr. Ask Hjorth Larsen - Publications

Years

These papers are ordered by article relevance. This list contains only the publications related to the Nano-bio Spectroscopy Group and might not be the complete list of the author.

The atomic simulation environment—a Python library for working with atoms
Ask Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist, Ivano E Castelli, Rune Christensen, Marcin Dułak, Jesper Friis, Michael N Groves, Bjørk Hammer, Cory Hargus, Eric D Hermes, Paul C Jennings, Peter Bjerre Jensen, James Kermode, John R Kitchin, Esben Leonhard Kolsbjerg, Joseph Kubal, Kristen Kaasbjerg, Steen Lysgaard, Jón Bergmann Maronsson, Tristan Maxson, Thomas Olsen, Lars Pastewka, Andrew Peterson, Carsten Rostgaard, Jakob Schiøtz, Ole Schütt, Mikkel Strange, Kristian S Thygesen, Tejs Vegge, Lasse Vilhelmsen, Michael Walter, Zhenhua Zeng, Karsten W Jacobsen
Journal Of Physics-Condensed Matter 29, 273002 (2017)
libvdwxc: a library for exchange–correlation functionals in the vdW-DF family
Ask Hjorth Larsen, Mikael Kuisma, Joakim Löfgren, Yann Pouillon, Paul Erhart, Per Hyldgaard
Modelling And Simulation In Materials Science And Engineering 25, 065004 (2017)
Dynamical Processes in Open Quantum Systems from a TDDFT Perspective: Resonances and Electron Photoemission
Larsen, Ask Hjorth, De Giovannini, Umberto, Rubio, Angel
Topics In Current Chemistry Vol. 368, p. 219 - 271 (2015)
Localized surface plasmon resonance in silver nanoparticles: Atomistic first-principles time-dependent density-functional theory calculations
Mikael Kuisma, Arto Sakko, Tuomas P Rossi, Ask Hjorth Larsen, Jussi Enkovaara, Lauri Lehtovaara, Tapio T Rantala
Physical Review B 91, 115431 (2015)
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
Xavier Andrade, David A. Strubbe, Umberto De Giovannini, Ask Hjorth Larsen, Micael J. T. Oliveira, Joseba Alberdi-Rodriguez, Alejandro Varas, Iris Theophilou, Nicole Helbig, Matthieu Verstraete, Lorenzo Stella, Fernando Nogueira, Alán Aspuru-Guzik, Alberto Castro, Miguel A. L. Marques, Ángel Rubio
Physical Chemistry Chemical Physics 17, 31371-31396 - 31396 (2015)
Modeling electron dynamics coupled to continuum states in finite volumes with absorbing boundaries
Umberto De Giovannini, Ask Hjorth Larsen, Angel Rubio
European Physical Journal B 88, (2015)
Design and performance characterization of electronic structure calculations on massively parallel supercomputers: a case study of GPAW on the Blue Gene/P architecture
Romero, N.A., Glinsvad, C., Larsen, A.H., Enkovaara, J., Shende, S., Morozov, V.A., Mortensen, J.J.
Concurrency and Computation-Practice and Experience 27, 69 - 93 (2014)
Stark Ionization of Atoms and Molecules within Density Functional Resonance Theory
Ask Hjorth Larsen, Umberto De Giovannini, Daniel Lee Whitenack, Adam Wasserman, Angel Rubio
Journal Of Physical Chemistry Letters 4, 2734 - 2738 (2013)
Balance of Nanostructure and Bimetallic Interactions in Pt Model Fuel Cell Catalysts: In Situ XAS and DFT Study
Daniel Friebel, Venkatasubramanian Viswanathan, Daniel J Miller, Toyli Anniyev, Hirohito Ogasawara, Ask H Larsen, Christopher P O’Grady, Jens K Nørskov, Anders Nilsson
Journal Of The American Chemical Society 134, 9664 - 9671 (2012)
Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters
Lin Li, Ask Hjorth Larsen, Nichols Anthony Romero, Vitali Morozov, Christian Glinsvad, Frank Abild-Pedersen, Jeffrey P Greeley, Karsten Wedel Jacobsen, Jens K Nørskov
Journal Of Physical Chemistry Letters 4, 222 - 226 (2012)
Electronic shell structure and chemisorption on gold nanoparticles
Ask Hjorth Larsen, Jesper Kleis, Kristian Sommer Thygesen, Jens Nørskov, Karsten Wedel Jacobsen
Physical Review B 84, 245429 (2011)
Finite Size Effects in Chemical Bonding: From Small Clusters to Solids
J. Kleis, J. Greeley, N. A. Romero, V. A. Morozov, H. Falsig, A. H. Larsen, J. Lu, J. J. Mortensen, M. Dułak, K. S. Thygesen, J. K. Nørskov, K. W. Jacobsen
Catalysis Letters 141, 1067 - 1071 (2011)
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
J Enkovaara, Carsten Rostgaard, Jens Jørgen Mortensen, Jingzhe Chen, M Dułak, L Ferrighi, J Gavnholt, Christian Glinsvad, V Haikola, HA Hansen, HH Kristoffersen, M Kuisma, AH Larsen, L Lehtovaara, Mathias Ljungberg, O Lopez-Acevedo, Poul Georg Moses, J Ojanen, T Olsen, V Petzold, NA Romero, J Stausholm-Møller, Mikkel Strange, GA Tritsaris, Marco Vanin, M Walter, B Hammer, H Häkkinen, GKH Madsen, RM Nieminen, Jens Kehlet Nørskov, M Puska, TT Rantala, J Schiøtz, Kristian Sommer Thygesen, Karsten Wedel Jacobsen
Journal Of Physics-Condensed Matter 22, 253202 (2010)
Localized atomic basis set in the projector augmented wave method
Ask Hjorth Larsen, Marco Vanin, Jens Jørgen Mortensen, Kristian Sommer Thygesen, Karsten Wedel Jacobsen
Physical Review B 80, 195112 (2009)
Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project
J. S. Hummelshøj, D. D. Landis, J. Voss, T. Jiang, A. Tekin, N. Bork, M. Dulak, J. J. Mortensen, L. Adamska, J. Andersin, J. D. Baran, G. D. Barmparis, F. Bell, A. L. Bezanilla, J. Bjork, M. E. Björketun, F. Bleken, F. Buchter, M. Bürkle, P. D. Burton, B. B. Buus, A. Calborean, F. Calle-Vallejo, S. Casolo, B. D. Chandler, D. H. Chi, I Czekaj, S. Datta, A. Datye, A. DeLaRiva, V Despoja, S. Dobrin, M. Engelund, L. Ferrighi, P. Frondelius, Q. Fu, A. Fuentes, J. Fürst, A. García-Fuente, J. Gavnholt, R. Goeke, S. Gudmundsdottir, K. D. Hammond, H. A. Hansen, D. Hibbitts, E. Hobi, Jr., J. G. Howalt, S. L. Hruby, A. Huth, L. Isaeva, J. Jelic, I. J. T. Jensen, K. A. Kacprzak, A. Kelkkanen, D. Kelsey, D. S. Kesanakurthi, J. Kleis, P. J. Klüpfel, I Konstantinov, R. Korytar, P. Koskinen, C. Krishna, E. Kunkes, A. H. Larsen, J. M. García Lastra, H. Lin, O. Lopez-Acevedo, M. Mantega, J. I. Martínez, I. N. Mesa, D. J. Mowbray, J. S. G. Mýrdal, Y. Natanzon, A. Nistor, T. Olsen, H. Park, L. S. Pedroza, V Petzold, C. Plaisance, J. A. Rasmussen, H. Ren, M. Rizzi, A. S. Ronco, C. Rostgaard, S. Saadi, L. A. Salguero, E. J. G. Santos, A. L. Schoenhalz, J. Shen, M. Smedemand, O. J. Stausholm-Møller, M. Stibius, M. Strange, H. B. Su, B. Temel, A. Toftelund, V Tripkovic, M. Vanin, V Viswanathan, A. Vojvodic, S. Wang, J. Wellendorff, K. S. Thygesen, J. Rossmeisl, T. Bligaard, K. W. Jacobsen, J. K. Nørskov, T. Vegge
Journal of Chemical Physics 131, 014101 (2009)