Optimizing Atomic Structures through Geno-Mathematical Programming

DOI10.4208/cicp.OA-2017-0253zbMath1473.82035MaRDI QIDQ5161391

Antti Lahti, Kalevi Kokko, Ralf Oestermark

Publication date: 29 October 2021

Published in: Communications in Computational Physics (Search for Journal in Brave)

zbMATH Keywords

optimization; bulk silicon; geno-mathematical programming; semi-empirical potential

Mathematics Subject Classification ID

65C05: Monte Carlo methods

90C59: Approximation methods and heuristics in mathematical programming

82D25: Statistical mechanics of crystals

65Z05: Applications to the sciences

82M99: Basic methods in statistical mechanics

Uses Software

• ReaxFF