The atomic simulation environment - A Python library for working with atoms

Journal of Physics Condensed Matter

Volumn 29, Issue 27, 2017, Pages

  Hjorth Larsen, Ask ^a,b   JØrgen Mortensen, Jens ^c   Blomqvist, Jakob ^d   Castelli, Ivano E ^e   Christensen, Rune ^c   Dułak, Marcin ^c   Friis, Jesper ^f   Groves, Michael N ^g   Hammer, BjØrk ^g   Hargus, Cory ^h   Hermes, Eric D ⁱ   Jennings, Paul C ^c   Bjerre Jensen, Peter ^c   Kermode, James ^j   Kitchin, John R ^k   Leonhard Kolsbjerg, Esben ^g   Kubal, Joseph ^l   Kaasbjerg, Kristen ^c   Lysgaard, Steen ^c   Bergmann Maronsson, Jón ^m   Maxson, Tristan ^l   Olsen, Thomas ^c   Pastewka, Lars ⁿ   Peterson, Andrew ^h   Rostgaard, Carsten ^c,o   SchiØtz, Jakob ^c   Schütt, Ole ^p   Strange, Mikkel ^c   Thygesen, Kristian S ^c   Vegge, Tejs ^c   Vilhelmsen, Lasse ^g   Walter, Michael ^q   Zeng, Zhenhua ^l   Jacobsen, Karsten W ^c   more..

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

^c TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^d MALMÖ UNIVERSITY   (Sweden)

^e UNIVERSITY OF COPENHAGEN   (Denmark)

^f SINTEF MATERIALS AND CHEMISTRY   (Norway)

^g AARHUS UNIVERSITY   (Denmark)

^h Brown University   (United States)

ⁱ UNIVERSITY OF WISCONSIN MADISON   (United States)

^j UNIVERSITY OF WARWICK   (United Kingdom)

^k CARNEGIE MELLON UNIVERSITY   (United States)

^l PURDUE UNIVERSITY   (United States)

^m Síminn R and D   (Iceland)

ⁿ KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^o Netcompany A S   (Denmark)

^p ETH ZURICH   (Switzerland)

^q UNIVERSITY OF FREIBURG   (Germany)

more..

Author keywords

density functional theory; electronic structure theory; molecular dynamics

Indexed keywords

ATOMS; COMPUTER SIMULATION LANGUAGES; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; STRUCTURAL OPTIMIZATION;

ATOMIC SIMULATIONS; ATOMISTIC SIMULATIONS; COMPLEX SIMULATION; ELECTRONIC STRUCTURE THEORY; NUDGED ELASTIC BAND; PYTHON PROGRAMMING LANGUAGE; STRUCTURE OPTIMIZATION; UNIFORM INTERFACE;

COMPUTER SOFTWARE;

ARTICLE; CALCULATION; COMPUTER LANGUAGE; HUMAN; HUMAN EXPERIMENT; MOLECULAR DYNAMICS; SOFTWARE; STRESS;

EID: 85020832059     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/1361-648X/aa680e     Document Type: Review

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