P
Pinaki Chaudhury
Researcher at University of Calcutta
Publications - 100
Citations - 958
Pinaki Chaudhury is an academic researcher from University of Calcutta. The author has contributed to research in topics: Simulated annealing & Potential energy surface. The author has an hindex of 15, co-authored 97 publications receiving 876 citations. Previous affiliations of Pinaki Chaudhury include Indian Association for the Cultivation of Science.
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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-packet approach
Sandip Ghosh,Saikat Mukherjee,Bijit Mukherjee,Souvik Mandal,Rahul Sharma,Pinaki Chaudhury,Satrajit Adhikari +6 more
TL;DR: The workability of beyond Born-Oppenheimer theory to construct diabatic potential energy surfaces (PESs) of a charge transfer atom-diatom collision process has been explored by performing scattering calculations to extract accurate integral cross sections (ICSs) and rate constants for comparison with most recent experimental quantities.
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Structural, spectroscopic aspects, and electronic properties of (TiO2)n clusters: a study based on the use of natural algorithms in association with quantum chemical methods.
TL;DR: It is shown that an initial determination of structure using stochastic techniques (GA/SA), also popularly known as natural algorithms as their working principle mimics certain natural processes, and following it up with density functional calculations lead to high‐quality structures for these systems.
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Numerical solutions of the Schrödinger equation directly or perturbatively by a genetic algorithm: test cases
TL;DR: In this paper, the suitability of the same basic idea in solving the inhomogeneous differential equations of Rayleigh-Schrodinger perturbation theory is also examined in this context with particular reference to the ground state of a two-electron atom.
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Structure and spectroscopy of water-fluoride microclusters: a combined genetic algorithm and DFT-based study.
TL;DR: The efficiency of using a coupled genetic algorithm (GA) and density functional theory (DFT) based strategy to evaluate probable structures of (H2O)nF− micro‐clusters, with n = 1 − 6 is explored.
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Determining the DNA stability parameters for the breathing dynamics of heterogeneous DNA by stochastic optimization.
TL;DR: In this article, the thermodynamic stability parameters (nearest neighbor stacking and hydrogen bonding free energies) of double-stranded DNA molecules can be inferred reliably from time series of the size fluctuations (breathing) of local denaturation zones (bubbles).