The Atomic Simulation Environment-a Python Library for Working with Atoms.
Ask Hjorth Larsen,Jens Jorgen Mortensen,Jakob Blomqvist,Ivano E. Castelli,Rune Christensen,Marcin Dulak,Jesper Friis,Michael N. Groves,Bjork 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, Jon Bergmann Maronsson,Tristan Maxson,Thomas Olsen,Lars Pastewka,Andrew Peterson,Carsten Rostgaard,Jakob Schiotz,Ole Schutt,Mikkel Strange,Kristian S. Thygesen,Tejs Vegge,Lasse Vilhelmsen,Michael Walter,Zhenhua Zeng,Karsten W. Jacobsen Journal of Physics Condensed Matter(2017)
关键词
density functional theory,molecular dynamics,electronic structure theory
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