Design of optimal laser fields to control vibrational excitations in carboxy-myoglobin

Harjinder Singh, Sitansh Sharma, Praveen Kumar, Jeremy N. Harvey, Gabriel G. Balint-Kurti

Research output: Chapter in Book/Report/Conference proceedingConference contribution

10 Scopus citations

Abstract

Optimal control theory is applied to obtain infrared laser pulses for the selective vibrational excitation of a two mathematical dimensional model of carboxy-myoglobin. Density functional theory is used to obtain the potential energy and dipole moment surfaces of the active site model. The Conjugate gradient method is employed to optimize the cost functional and to obtain the optimized laser pulses. Optimized laser fields are found which give virtually 100% excitation probability to preselected vibrational levels.

Original languageEnglish
Title of host publicationComputational Science - ICCS 2008 - 8th International Conference, Proceedings
Pages387-395
Number of pages9
EditionPART 2
DOIs
StatePublished - 2008
Event8th International Conference on Computational Science, ICCS 2008 - Krakow, Poland
Duration: Jun 23 2008Jun 25 2008

Publication series

NameLecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
NumberPART 2
Volume5102 LNCS
ISSN (Print)0302-9743
ISSN (Electronic)1611-3349

Conference

Conference8th International Conference on Computational Science, ICCS 2008
CountryPoland
CityKrakow
Period06/23/0806/25/08

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    Singh, H., Sharma, S., Kumar, P., Harvey, J. N., & Balint-Kurti, G. G. (2008). Design of optimal laser fields to control vibrational excitations in carboxy-myoglobin. In Computational Science - ICCS 2008 - 8th International Conference, Proceedings (PART 2 ed., pp. 387-395). (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); Vol. 5102 LNCS, No. PART 2). https://doi.org/10.1007/978-3-540-69387-1_43