M
Mikkel Strange
Researcher at University of Copenhagen
Publications - 47
Citations - 6464
Mikkel Strange is an academic researcher from University of Copenhagen. The author has contributed to research in topics: Density functional theory & Conductance. The author has an hindex of 24, co-authored 46 publications receiving 4904 citations. Previous affiliations of Mikkel Strange include University of Jyväskylä & Technical University of Denmark.
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Journal ArticleDOI
The Atomic Simulation Environment - A Python library for working with atoms
Ask Hjorth Larsen,Ask Hjorth Larsen,Jens Jørgen Mortensen,Jakob Blomqvist,Ivano E. Castelli,Rune Christensen,Marcin Dulak,Jesper Friis,Michael N. Groves,Bjørk Hammer,Cory Hargus,Eric D. Hermes,Paul C. Jennings,Peter Bjerre Jensen,James R. Kermode,John R. Kitchin,Esben L. Kolsbjerg,Joseph Kubal,Kristen Kaasbjerg,Steen Lysgaard,Jon Bergmann Maronsson,Tristan Maxson,Thomas Olsen,Lars Pastewka,Andrew A. Peterson,Carsten Rostgaard,Jakob Schiøtz,Ole Schütt,Mikkel Strange,Kristian Sommer Thygesen,Tejs Vegge,Lasse B. Vilhelmsen,Michael Walter,Zhenhua Zeng,Karsten Wedel Jacobsen +34 more
TL;DR: The atomic simulation environment (ASE) provides modules for performing many standard simulation tasks such as structure optimization, molecular dynamics, handling of constraints and performing nudged elastic band calculations.
Journal ArticleDOI
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
J. Enkovaara,Carsten Rostgaard,Jens Jørgen Mortensen,Jingzhe Chen,Marcin Dulak,Lara Ferrighi,Jeppe Gavnholt,Christian Glinsvad,V. Haikola,Heine Anton Hansen,Henrik H. Kristoffersen,Mikael Kuisma,Ask Hjorth Larsen,Lauri Lehtovaara,Mathias P. Ljungberg,Olga Lopez-Acevedo,Poul Georg Moses,Jussi Ojanen,Thomas Olsen,Vivien Gabriele Petzold,Nichols A. Romero,Jess Stausholm-Møller,Mikkel Strange,Georgios A. Tritsaris,Marco Vanin,Michael Walter,Bjørk Hammer,Hannu Häkkinen,Georg K. H. Madsen,Risto M. Nieminen,Jens K. Nørskov,Martti J. Puska,Tapio T. Rantala,Jakob Schiøtz,Kristian Sommer Thygesen,Karsten Wedel Jacobsen +35 more
TL;DR: This article presents the projector augmented-wave (PAW) method as implemented in the GPAW program package using a uniform real-space grid representation of the electronic wavefunctions and implements the two common formulations of TDDFT, namely the linear-response and the time propagation schemes.
Journal ArticleDOI
The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals
Sten Haastrup,Mikkel Strange,Mohnish Pandey,Thorsten Deilmann,Per Simmendefeldt Schmidt,N. F. Hinsche,Morten Niklas Gjerding,Daniele Torelli,Peter Mahler Larsen,Anders C. Riis-Jensen,Jakob Gath,Karsten Wedel Jacobsen,Jens Jørgen Mortensen,Thomas Olsen,Kristian Sommer Thygesen +14 more
TL;DR: The Computational 2D Materials Database (C2DB) as discussed by the authors is a large-scale database of 2D materials and van der Waals heterostructures, including tens of thousands of materials.
Journal ArticleDOI
The Computational 2D Materials Database: High-Throughput Modeling and Discovery of Atomically Thin Crystals
Sten Haastrup,Mikkel Strange,Mohnish Pandey,Thorsten Deilmann,Per Simmendefeldt Schmidt,N. F. Hinsche,Morten Niklas Gjerding,Daniele Torelli,Peter Mahler Larsen,Anders C. Riis-Jensen,Jakob Gath,Karsten Wedel Jacobsen,Jens Jørgen Mortensen,Thomas Olsen,Kristian Sommer Thygesen +14 more
TL;DR: The Computational 2D Materials Database (C2DB) as discussed by the authors is a large-scale database of 2D materials and van der Waals heterostructures, including tens of thousands of materials.
Journal ArticleDOI
Self-consistent GW calculations of electronic transport in thiol- and amine-linked molecular junctions
TL;DR: In this article, the electronic conductance of a benzene molecule connected to gold electrodes via thiol, thiolate, or amino anchoring groups is calculated using nonequilibrium Green functions in combination with the fully selfconsistent GW approximation for exchange and correlation.