Spremljaj
Grisell Díaz Leines
Naslov
Navedeno
Navedeno
Leto
Path finding on high-dimensional free energy landscapes
G Díaz Leines, B Ensing
Physical review letters 109 (2), 020601, 2012
1122012
pyscal: A python module for structural analysis of atomic environments
S Menon, GD Leines, J Rogal
Journal of Open Source Software 4 (43), 1824, 2019
492019
Atomistic insight into the non-classical nucleation mechanism during solidification in Ni
G Díaz Leines, R Drautz, J Rogal
The Journal of chemical physics 146 (15), 2017
442017
Domain growth, pattern formation, and morphology transitions in Langmuir monolayers. A new growth instability
A Gutierrez-Campos, G Diaz-Leines, R Castillo
The Journal of Physical Chemistry B 114 (15), 5034-5046, 2010
422010
Atomistic description of self-diffusion in molybdenum: A comparative theoretical study of non-Arrhenius behavior
D Smirnova, S Starikov, GD Leines, Y Liang, N Wang, MN Popov, ...
Physical Review Materials 4 (1), 013605, 2020
302020
PDBe and PDBe‐KB: Providing high‐quality, up‐to‐date and integrated resources of macromolecular structures to support basic and applied research and education
M Varadi, S Anyango, SD Appasamy, D Armstrong, M Bage, J Berrisford, ...
Protein Science 31 (10), e4439, 2022
262022
Origin of spectral band patterns in the cosmic unidentified infrared emission
H Álvaro Galué, G Díaz Leines
Physical Review Letters 119 (17), 171102, 2017
252017
Practical guide to replica exchange transition interface sampling and forward flux sampling
SW Hall, G Díaz Leines, S Sarupria, J Rogal
The Journal of Chemical Physics 156 (20), 2022
212022
Maximum Likelihood Analysis of Reaction Coordinates during Solidification in Ni
G Díaz Leines, J Rogal
The Journal of Physical Chemistry B 122 (48), 10934-10942, 2018
212018
Role of pre-ordered liquid in the selection mechanism of crystal polymorphs during nucleation
S Menon, G Díaz Leines, R Drautz, J Rogal
The Journal of Chemical Physics 153 (10), 2020
162020
Identification of a multi-dimensional reaction coordinate for crystal nucleation in Ni3Al
Y Liang, G Díaz Leines, R Drautz, J Rogal
The Journal of Chemical Physics 152 (22), 2020
142020
Template-induced precursor formation in heterogeneous nucleation: Controlling polymorph selection and nucleation efficiency
G Díaz Leines, J Rogal
Physical Review Letters 128 (16), 166001, 2022
132022
Comparison of minimum-action and steepest-descent paths in gradient systems
G Díaz Leines, J Rogal
Physical Review E 93 (2), 022307, 2016
72016
Interplay of structural and dynamical heterogeneity in the nucleation mechanism in nickel
GD Leines, A Michaelides, J Rogal
Faraday Discussions 235, 406-415, 2022
62022
Controlling crystallization: What liquid structure and dynamics reveal about crystal nucleation mechanisms
J Rogal, G Díaz Leines
Philosophical Transactions of the Royal Society A 381 (2250), 20220249, 2023
52023
Structural transformations driven by local disorder at interfaces
Y Liang, GD Leines, R Drautz, J Rogal
Physical Review Materials 8 (3), 033402, 2024
22024
Stochastic transitions: Paths over higher energy barriers can dominate in the early stages
SP Fitzgerald, AB Hass, GD Leines, AJ Archer
The Journal of Chemical Physics 158 (12), 2023
22023
Annotating Macromolecular Complexes in the Protein Data Bank: Improving the FAIRness of Structure Data
SD Appasamy, J Berrisford, R Gaborova, S Nair, S Anyango, S Grudinin, ...
bioRxiv, 2023.05. 15.540692, 2023
12023
Interplay of structural and dynamical heterogeneity in the nucleation mechanism in Ni
GD Leines, A Michaelides, J Rogal
arXiv preprint arXiv:2112.06349, 2021
2021
Interplay of structural and dynamical heterogeneity in the nucleation mechanism in Ni
G Díaz Leines, A Michaelides, J Rogal
arXiv e-prints, arXiv: 2112.06349, 2021
2021
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