Beyond Born-Oppenheimer theory for ab initio constructed diabatic potential energy surfaces of singlet H3+ to study reaction dynamics using coupled 3D time-dependent wave … S Ghosh, S Mukherjee, B Mukherjee, S Mandal, R Sharma, P Chaudhury, ... The Journal of Chemical Physics 147 (7), 2017 | 58 | 2017 |
Structural, spectroscopic aspects, and electronic properties of (TiO2)n clusters: A study based on the use of natural algorithms in association with quantum … S Ganguly Neogi, P Chaudhury Journal of Computational Chemistry 35 (1), 51-61, 2014 | 45 | 2014 |
Direct solution of Schrödinger equation by genetic algorithm: test cases R Saha, P Chaudhury, SP Bhattacharyya Physics Letters A 291 (6), 397-406, 2001 | 43 | 2001 |
Numerical solutions of the Schrödinger equation directly or perturbatively by a genetic algorithm: test cases P Chaudhury, SP Bhattacharyya Chemical Physics Letters 296 (1-2), 51-60, 1998 | 43 | 1998 |
Locating critical points on multi-dimensional surfaces by genetic algorithm: test cases including normal and perturbed argon clusters P Chaudhury, SP Bhattacharyya Chemical physics 241 (3), 313-325, 1999 | 42 | 1999 |
A genetic algorithm based technique for locating first-order saddle point using a gradient dominated recipe P Chaudhury, SP Bhattacharyya, W Quapp Chemical Physics 253 (2-3), 295-303, 2000 | 41 | 2000 |
Structure and spectroscopy of water‐fluoride microclusters: A combined genetic algorithm and DFT‐based study SG Neogi, P Chaudhury Journal of Computational Chemistry 33 (6), 629-639, 2012 | 31 | 2012 |
Structure and spectroscopic aspects of water‐halide ion clusters: A study based on a conjunction of stochastic and quantum chemical methods SG Neogi, P Chaudhury Journal of Computational Chemistry 34 (6), 471-491, 2013 | 30 | 2013 |
Determining the DNA stability parameters for the breathing dynamics of heterogeneous DNA by stochastic optimization S Talukder, P Chaudhury, R Metzler, SK Banik The Journal of chemical physics 135 (16), 2011 | 25 | 2011 |
A simulated annealing based technique for locating first-order saddle points on multidimensional surfaces and constructing reaction paths: several model studies P Chaudhury, SP Bhattacharyya Journal of Molecular Structure: THEOCHEM 429, 175-186, 1998 | 24 | 1998 |
Escape kinetics of self-propelled particles from a circular cavity T Debnath, P Chaudhury, T Mukherjee, D Mondal, PK Ghosh The Journal of Chemical Physics 155 (19), 2021 | 21 | 2021 |
Structure and vibrational spectroscopy of halide ion hydrates: a study based on genetic algorithm P Chaudhury, R Saha, SP Bhattacharyya Chemical Physics 270 (2), 277-285, 2001 | 21 | 2001 |
Structural and spectroscopic studies of carbon dioxide clusters: a combined genetic algorithm and DFT based study SG Neogi, S Talukder, P Chaudhury Structural Chemistry 25, 909-918, 2014 | 20 | 2014 |
Coherent destruction of tunneling with optimally designed polychromatic external field S Ghosh, S Talukder, S Sen, P Chaudhury Chemical Physics 425, 73-79, 2013 | 19 | 2013 |
Selective bond breaking mediated by state specific vibrational excitation in model HOD molecule through optimized femtosecond IR pulse: A simulated annealing based approach BK Shandilya, S Sen, T Sahoo, S Talukder, P Chaudhury, S Adhikari The Journal of Chemical Physics 139 (3), 2013 | 18 | 2013 |
Harmonic oscillator in presence of nonequilibrium environment JR Chaudhuri, P Chaudhury, S Chattopadhyay The Journal of chemical physics 130 (23), 2009 | 18 | 2009 |
Structure, spectroscopy and electronic properties of neutral lattice-like (MgO) n clusters: a study based on a blending of DFT with stochastic … SG Neogi, P Chaudhury Structural Chemistry 25, 1229-1244, 2014 | 17 | 2014 |
A stochastic optimization method based technique for finding out reaction paths in noble gas clusters perturbed by alkali metal ions SK Biring, P Chaudhury Chemical Physics 377 (1-3), 46-53, 2010 | 17 | 2010 |
Role of relaxation time scale in noisy signal transduction AK Maity, P Chaudhury, SK Banik PLoS One 10 (5), e0123242, 2015 | 16 | 2015 |
A comparative study on full diagonalization of Hessian matrix and Gradient-only technique to trace out reaction path in doped noble gas clusters using stochastic optimization SK Biring, P Chaudhury Chemical Physics 400, 198-206, 2012 | 16 | 2012 |