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Donat Adams
Donat Adams
Research associate, University of Bern
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Recent developments in the ABINIT software package
X Gonze, F Jollet, FA Araujo, D Adams, B Amadon, T Applencourt, ...
Computer physics communications 205, 106-131, 2016
8702016
Ab initio molecular dynamics study of perovskite at conditions of Earth’s lower mantle
DJ Adams, AR Oganov
Physical Review B—Condensed Matter and Materials Physics 73 (18), 184106, 2006
642006
Experimental observation of dissociative electron attachment to S2O and S2O2 with a new spectrometer for unstable molecules
TA Field, AE Slattery, DJ Adams, DD Morrison
Journal of Physics B: Atomic, Molecular and Optical Physics 38 (3), 255, 2005
402005
Study of the volume and spin collapse in orthoferrite using
DJ Adams, B Amadon
Physical Review B—Condensed Matter and Materials Physics 79 (11), 115114, 2009
322009
Stable ferromagnetism and doping-induced half-metallicity in asymmetric graphene nanoribbons
DJ Adams, O Gröning, CA Pignedoli, P Ruffieux, R Fasel, D Passerone
Physical Review B—Condensed Matter and Materials Physics 85 (24), 245405, 2012
232012
Insight into structural phase transitions from the decoupled anharmonic mode approximation
DJ Adams, D Passerone
Journal of Physics: Condensed Matter 28 (30), 305401, 2016
162016
Classification of perovskite structural types with dynamical octahedral tilting
DJ Adams, SV Churakov
IUCrJ 10 (3), 309-320, 2023
152023
Quantum mechanical theory diffusion in solids. An application to H in silicon and Li in LiFePO4
DJ Adams
Solid State Ionics 290, 116-120, 2016
82016
Identifying photoreaction products in cinnamate-based photoalignment materials
DJ Adams, S Chappellet, F Lincker, M Ibn-Elhaj, B Watts, M Iannuzzi, ...
The Journal of Physical Chemistry C 118 (28), 15422-15433, 2014
62014
Theory of minerals at extreme conditions: Predictability of structures and properties
DJ Adams, AR Oganov
52005
Anharmonic effects on the dynamics of solid aluminium from ab initio simulations
DJ Adams, L Wang, G Steinle-Neumann, D Passerone, SV Churakov
Journal of Physics: Condensed Matter 33 (17), 175501, 2021
32021
Dynamical tilting in halide perovskites
DJ Adams, SV Churakov
arXiv preprint arXiv:2203.00401, 2022
2022
B1-B2 Phase Transition in MgO from anharmonic ab-initio lattice dynamics at conditions of super-Earth interiors
F Trybel, I Errea, D Adams, M Wenz, L Monacelli, S Churakov, ...
EPSC-DPS Joint Meeting 2019 2019, EPSC-DPS2019-556, 2019
2019
MS31-P4 Stabilization of dynamically unstable cystal structures in the Decoupled Anharmonic Mode Approximation (DAMA)
DJ Adams
Acta Cryst 72, s350, 2016
2016
Volume and Spin Collapse in Orthoferrite LuFeO3 Using LDA+ U
D Adams
Materials by Design: Understanding and Controlling the Electronic Properties …, 2010
2010
First-principles study of the effect of Fe impurities in MgO at geophysically relevant pressures
DJ Adams, WM Temmerman, Z Szotek
arXiv preprint arXiv:0904.2901, 2009
2009
Ab initio simulations of Earth forming minerals
DJ Adams
ETH Zurich, 2007
2007
Structure, structural phase transitions, mechanical properties, defects-Ab initio molecular dynamics study of CaSiO3 perovskite at PT conditions of Earth's lower mantle
DJ Adams, AR Oganov
Physical Review-Section B-Condensed Matter 73 (18), 184106-184106, 2006
2006
EMU Notes in Mineralogy, Vol. 7 (2005), Chapter 18, 441-457
DJ ADAMS, AR OGANOV
Mineral Behaviour at Extreme Conditions: University Textbook 7, 441, 2005
2005
Molecular Dynamics Simulations of cubic CaSiO3 at lower mantle conditions
D Adams, A Oganov
Acta Crystallographica Section A: Foundations of Crystallography 61, c465-c466, 2005
2005
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Artiklar 1–20