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References.txt
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CENT:
Interatomic potentials for ionic systems with density functional
accuracy based on charge densities obtained by a neural network,
S. Alireza Ghasemi et al, Phys. Rev. B 92, 045131 (2015).
FIRE:
Structural Relaxation Made Simple,
Erik Bitzek et al, Phys. Rev. Lett. 97, 170201 (2006).
SQNM:
Stabilized quasi-Newton optimization of noisy potential energy surfaces,
Bastian Schaefer et al, J. Chem. Phys. 142, 034112 (2015).
P3D:
A particle-particle, particle-density algorithm for the calculation
of electrostatic interactions of particles with slablike geometry,
S. Alireza Ghasemi et al, J. Chem. Phys. 127, 224102 (2007).
P3S:
Particle-particle, particle-scaling function algorithm for
electrostatic problems in free boundary conditions,
Alexey Neelov et al, J. Chem. Phys. 127, 024109 (2007).
P3D-bias:
A highly accurate and efficient algorithm for electrostatic interactions
of charged particles confined by parallel metallic plates,
Samare Rostami et al, J. Chem. Phys. 145, 124118 (2016).
BFGS: Broyden-Fletcher-Goldfarb-Shanno algorithm
Numerical Optimization,
Authors: Nocedal, Jorge, Wright, S.
Minima Hopping Method:
Minima hopping: An efficient search method for the global minimum
of the potential energy surface of complex molecular systems,
Stefan Goedecker, J. Chem. Phys. 120, 9911 (2004).
and
Crystal structure prediction using the minima hopping method,
Maximilian Amsler et al, J. Chem. Phys. 133, 224104 (2010).
Nose-Hoover:
Nose–Hoover chains: The canonical ensemble via continuous dynamics,
Glenn J. Martyna et al, J. Chem. Phys. 97, 2635 (1998).
Extended Kalman filter:
A recursive algorithm based on the extended Kalman filter for
the training of feedforward neural models,
IsabelleRivals et al, Neurocomputing, 20, 279 (1998).
Bader: TO BE ADDED LATER
Behler: TO BE ADDED LATER
Overlap symmetry functions:
Metrics for measuring distances in configuration spaces,
Ali Sadeghi et al, J. Chem. Phy. 139, 184118 (2013).
A fingerprint based metric for measuring similarities of crystalline structures,
Li Zhu et al, J. Chem. Phys. 144, 034203 (2016).