Editorial: Application of Optimization Algorithms in Chemistry

Front Chem. 2020 Mar 20:8:198. doi: 10.3389/fchem.2020.00198. eCollection 2020.

Authors

Jorge M C Marques¹, Emilio Martínez-Núñez², William L Hase³

Affiliations

¹ Coimbra Chemistry Centre (CQC), Department of Chemistry, University of Coimbra, Coimbra, Portugal.
² Departmento de Química Física, Facultade de Química, Universidade de Santiago de Compostela, Santiago de Compostela, Spain.
³ Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, TX, United States.

No abstract available

Keywords: energy landscapes; fitting potential energy functions; global optimization algorithms; molecular geometry search; spectral assignment.

Publication types

Editorial