Automatized Parameterization of DFTB Using Particle Swarm Optimization.
Chou, Chien-Pin
Automatized Parameterization of DFTB Using Particle Swarm Optimization. [electronic resource] - Journal of chemical theory and computation Jan 2016 - 53-64 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1549-9626
10.1021/acs.jctc.5b00673 doi
Algorithms
Hydrogen Peroxide--chemistry
Methanol--chemistry
Models, Theoretical
Silicon--chemistry
Automatized Parameterization of DFTB Using Particle Swarm Optimization. [electronic resource] - Journal of chemical theory and computation Jan 2016 - 53-64 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1549-9626
10.1021/acs.jctc.5b00673 doi
Algorithms
Hydrogen Peroxide--chemistry
Methanol--chemistry
Models, Theoretical
Silicon--chemistry