相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Finding Reaction Pathways and Transition States: r-ARTn and d-ARTn as an Efficient and Versatile Alternative to String Approaches
Antoine Jay et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
Long-time point defect diffusion in ordered nickel-based binary alloys: How small kinetic differences can lead to completely long-time structural evolution
Sami Mahmoud et al.
MATERIALIA (2018)
Simulation of Single Particle Displacement Damage in Silicon-Part II: Generation and Long-Time Relaxation of Damage Structure
Antoine Jay et al.
IEEE TRANSACTIONS ON NUCLEAR SCIENCE (2017)
Strain-driven diffusion process during silicon oxidation investigated by coupling density functional theory and activation relaxation technique
N. Salles et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Diffusion mechanisms of C in 100, 110 and 111 Fe surfaces studied using kinetic activation-relaxation technique
Oscar A. Restrepo et al.
ACTA MATERIALIA (2017)
Diffusion of point defects in crystalline silicon using the kinetic activation-relaxation technique method
Mickael Trochet et al.
PHYSICAL REVIEW B (2015)
Long-time relaxation of ion-bombarded silicon studied with the kinetic activation-relaxation technique: Microscopic description of slow aging in a disordered system
Laurent Karim Beland et al.
PHYSICAL REVIEW B (2013)
Optimized energy landscape exploration using the ab initio based activation-relaxation technique
Eduardo Machado-Charry et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Energy landscape of small clusters of self-interstitial dumbbells in iron
M. -C. Marinica et al.
PHYSICAL REVIEW B (2011)
Kinetic activation-relaxation technique
Laurent Karim Beland et al.
PHYSICAL REVIEW E (2011)
Evolution of the Potential-Energy Surface of Amorphous Silicon
Houssem Kallel et al.
PHYSICAL REVIEW LETTERS (2010)
Some improvements of the activation-relaxation technique method for finding transition pathways on potential energy surfaces
E. Cances et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
The complex folding pathways of protein A suggest a multiple-funnelled energy landscape
Jean-Francois St-Pierre et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Dynamics of Lennard-Jones clusters: A characterization of the activation-relaxation technique
R Malek et al.
PHYSICAL REVIEW E (2000)