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Suman Bhaumik
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Noncovalent Carbon‐Bonding Interactions in Proteins
VR Mundlapati, DK Sahoo, S Bhaumik, S Jena, A Chandrakar, HS Biswal
Angewandte Chemie International Edition 57 (50), 16496-16500, 2018
1052018
Comparison of internal conversion dynamics of azo and azoxy energetic moieties through the (S1/S0) CI conical Intersection: An ab initio multiple spawning study
J Ghosh, S Bhaumik, A Bhattacharya
Chemical Physics 513, 221-229, 2018
112018
Nonadiabatic dynamics of 1, 3-cyclohexadiene by curvature-driven coherent switching with decay of mixing
L Zhang, Y Shu, S Bhaumik, X Chen, S Sun, Y Huang, DG Truhlar
Journal of Chemical Theory and Computation 18 (12), 7073-7081, 2022
82022
Parametrically managed activation function for fitting a neural network potential with physical behavior enforced by a low-dimensional potential
FB Akher, Y Shu, Z Varga, S Bhaumik, DG Truhlar
The Journal of Physical Chemistry A 127 (24), 5287-5297, 2023
32023
Bioinspired Cu (II) Defect Sites in ZIF-8 for Selective Methane Oxidation
Y Yang, S Kanchanakungwankul, S Bhaumik, Q Ma, S Ahn, DG Truhlar, ...
Journal of the American Chemical Society 145 (40), 22019-22030, 2023
22023
Electron transfer dissociation of synthetic and natural peptides containing lanthionine/methyllanthionine bridges
AB Dolle, N Jagadeesh, S Bhaumik, S Prakash, HS Biswal, KH Gowd
Rapid Communications in Mass Spectrometry 32 (11), 831-843, 2018
22018
Post-Activation Function for Managing the Behavior of a Neural Network Potential with a Low-Dimensional Potential
FB Akher, Y Shu, Z Varga, S Bhaumik, D Truhlar
12023
Parametrically managed activation function for fitting a neural network potential with physical behavior enforced by lower level density fucntional theory calculation
S Bhaumik, Y Shu, D Truhlar
ACS Spring 2024, 2024
2024
Parametrically managed activation function for fitting a neural network potential with physical behavior enforced by lower-level density functional theory calculation
S Bhaumik, Y Shu, D Truhlar
Bulletin of the American Physical Society, 2024
2024
Bioinspired Cu(II) Defective Sites in ZIF-8 for Selective Methane Oxidation
S Bhaumik, S Kanchanakungwankul, Y Yang, D Truhlar, J Hupp
MRS Fall 2023, 2023
2023
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