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Quantum dynamics and optimal control of nuclear motion in the hydrogen bonds of adenine-thymine DNA base pairAuthors: Sitansh Sharma,Harjinder Singh,Gabriel G Balint-Kurti Conference: International Conference on Physics Biology Interface (ICPBI2009 2009) Date: 2009-12-13 Report no: IIIT/TR/2009/191 AbstractQuantum optimal control theory along with time dependent quantum dynamics is used to control the nuclear motion in the hydrogen bonds of adenine-thymine (A-T) DNA base pair [1]. Optimal infrared laser pulses are designed for selective excitations of (a) single N-H O hydrogen bond and (b) both N-H O and N-H N bonds simultaneously. The conjuagte gradient method is employed to optimize the constructed eld dependent grand functional. Optimal laser elds are realized which give more than 99% population transfer to the preselected vibrational states. The mechanism of population transfer during the vibrational excitation process is investigated by projecting the laser driven nuclear wavefunction onto the vibrational states of the system. Full paper: pdf Centre for Computational Natural Sciences and Bioinformatics |
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