rer. nat. habil. Andreas M. Köster

Investigador Titular Cinvestav 3E, SNII III

Laboratorio: Química Teórica

Departamento: Química, ud. Zacatenco

Teléfono: 5557473800 Ext. 3910

Correo electrónico: akoster@cinvestav.mx

Semblanza:

Dipl.-Chem. Leibniz Universität Hannover (1989); Dr. rer.-nat. Leibniz Universität Hannover (1992); Postdoctoral Research Associate, Universite de Montreal (1993 - 1994); Consulting Scientist for BIOSYM Company San Diego (1993 - 1994); Habilitation in Theoretical Chemistry (1999); Privatdozent Leibniz Universität Hannover (1999); Investigador Cinvestav 3B (1999 - 2005); Investigador Cinvestav 3C (2005 - 2009); Investigador Cinvestav 3D (2009 - 2012); Investigador Cinvestav 3E (since 2012)

Líneas de investigación:

Theoretical Chemistry

Proyectos relevantes:

Development of deMon2k (see www.demon-software.com); Auxiliary density functional theory (ADFT); Auxiliary density perturbation theory (ADPT); QM/MM methods; Ab-initio molecular dynamics

Publicaciones recientes y/o relevantes:

1. D. Mejia-Rodriguez, A.M. Kóster, Robust and Efficient Variational Fitting of Fock Exchange, J. Chem. Phys. 141, 124114 (2014) DOI: 10.1063/1.4896199
2. R.I. Delgado-Venegas, D. Mejía-Rodríguez, R. Flores-Moreno, P. Calaminici, A.M. Kóster, Analytic Second Derivatives from Auxiliary Density Perturbation Theory, J. Chem. Phys. 145, 224103 (2016) DOI: 10.1063/1.4971292
3. F.A. Delesma, G. Geudtner, D. Mejía-Rodríguez, P. Calaminici, A.M. Kóster. Range-Separated Hybrid Functionals with Variational Fitted Exact Exchange, J. Chem. Theory Comput. 14, 5608 (2018) DOI: 10.1021/acs.jctc.8b00436 
4. F.A. Delesma, R.I. Delgado-Venegas, D.R. Salahub, J.M. del Campo, J.N. Pedroza-Montero, P. Calaminici, A.M. Kóster, Self-Consistent Auxiliary Density Perturbation Theory, J. Chem. Theory Comput. 17, 6934 (2021) DOI: 10.1021/acs.jctc.1c00713
5. L.-I. Hernández-Segura, A.M. Kóster, Efficient Implementation of Time-Dependent Auxiliary Density Functional Theory, J. Chem. Phys. 158, 024108 (2023). DOI: 10.1063/5.0135263