Neural Quantum Scattering

Peer-Reviewed Journal Articles

Ray S., Mondal S., Mandal B., Bag B. C., The role of interplay between the potential and ambient energies on the vibration energy harvesting
The European Physical Journal B, 89, 224, 2016
[DOI Link]
Borgohain G., Mandal B., Paul S., Molecular dynamics approach to understand the denaturing effect of a millimolar concentration of dodine on a λ-repressor and counteraction by trehalose
Physical Chemistry Chemical Physics, 19, 13160, 2017
[DOI Link]
Mandal B., Semenov A., Babikov D., Calculations of differential cross sections using mixed quantum/classical theory of inelastic scattering
The Journal of Physical Chemistry A, 122, 6157, 2018
[DOI Link]
Semenov A.^*, Mandal B.^*, (^*contributed equally) Babikov D., MQCT: User-ready program for calculations of inelastic scattering of two molecules
Computer Physics Communications, 252, 107155, 2020
[DOI Link]
Boursier C., Mandal B., Dubernet M. L., Babikov D., New H₂O-H₂O collisional rate coefficients for cometary applications
Monthly Notices of the Royal Astronomical Society, 498, 5489, 2020
[DOI Link]
Mandal B., Semenov A., Babikov D., Adiabatic trajectory approximation within the framework of mixed quantum/classical theory
The Journal of Physical Chemistry A, 124, 9877, 2020
[DOI Link]
Mandal B., Joy C., Semenov A., Babikov D., Mixed quantum/classical theory for collisional quenching of PAHs in the interstellar media
ACS Earth and Space Chemistry, 6, 521, 2022
[DOI Link]
Mandal B., Joy C., Bostan D., Eng A., Babikov D., Adiabatic trajectory approximation – new general method in the toolbox of mixed quantum/classical theory for collisional energy transfer (Published as Cover)
The Journal of Physical Chemistry Letters, 14, 817, 2023
[DOI Link]
Mandal B., Babikov D., Rate coefficients for rotational state-to-state transitions in H₂O + H₂O collisions for cometary and planetary applications, as predicted by mixed quantum/classical theory
Astronomy & Astrophysics, 671, A51, 2023
[DOI Link]
Bostan D., Mandal B., Joy C., Babikov D., Description of quantum interference using mixed quantum/classical theory of inelastic scattering
Physical Chemistry Chemical Physics, 25, 15683, 2023
[DOI Link]
Joy C., Mandal B., Bostan D., Babikov D., Mixed quantum/classical theory for rotational energy exchange in symmetric-top-rotor + linear-rotor collisions and a case study of the ND₃ + D₂ system
Physical Chemistry Chemical Physics, 25, 17287, 2023
[DOI Link]
Mandal B., Babikov D., Improved temperature dependence of rate coefficients for rotational state-to-state transitions in H₂O + H₂O collisions
Astronomy & Astrophysics, 678, A51, 2023
[DOI Link]
Mandal B., Bostan D., Joy C., Babikov D., MQCT 2024: A program for calculations of inelastic scattering of two molecules
Computer Physics Communications, 294, 108938, 2024
[DOI Link]
Dubernet M. L., ... , Mandal B., ..., et al., BASECOL2023 scientific content
Astronomy & Astrophysics, 683, A40, 2024
[DOI Link]
Bostan D., Mandal B., Joy C., Żółtowski M., Lique F., Loreau J., Quintas-Sánchez E., Batista-Planas A., Dawes R., Babikov D., Mixed quantum/classical calculations of rotationally inelastic scattering in the CO + CO system: a comparison with fully quantum results (Published as Cover)
Physical Chemistry Chemical Physics, 26, 6627, 2024
[DOI Link]
Joy C., Mandal B., Bostan D., Dubernet M. L., Babikov D., Mixed quantum/classical theory (MQCT) approach to the dynamics of molecule–molecule collisions in complex systems
Faraday Discussions, 251, 225, 2024
[DOI Link]
Mandal B., Kroft J., Jambrina P., Guo H., Aoiz F. J., Naduvalath B., Stereodynamical control of cold HD + D₂ collisions
Physical Chemistry Chemical Physics, 26, 18368, 2024
[DOI Link]
Mandal B., Żółtowski M., Cordiner M., Lique F., Babikov D., Rotational state-to-state transition rate coefficients for H₂O + H₂O collisions at non-equilibrium conditions
Astronomy & Astrophysics, 688, A208, 2024
[DOI Link]
Bostan D., Mandal B., Babikov D., Mixed quantum/classical theory for rotationally inelastic scattering of identical collision partners revised
Physical Chemistry Chemical Physics, 26, 27567, 2024
[DOI Link]
Joy C., Bostan D., Mandal B., Babikov D., Rate coefficients for rotational state-to-state transitions in H₂O + H₂ collisions as predicted by mixed quantum/classical theory
Astronomy & Astrophysics, 692, A229, 2024
[DOI Link]
Mandal B., Patkowski K., Jambrina P., Aoiz F. J., Naduvalath B., Stereodynamics of cold HD and D₂ collisions with He
Journal of Chemical Physics, 162, 104201, 2025
[DOI Link]
Sanz-Sanz C.^*, Mandal B.^*, (^*contributed equally) Jambrina P., Aoiz F. J., Naduvalath B., Cold collisions of highly vibrationally excited and aligned D₂ with Ne
Journal of Chemical Physics, 162, 164307, 2025
[DOI Link]
Mandal B., Babikov D., Stancil P., Forrey R., Krems R., Naduvalath B., Neural network ensemble for computing cross sections for rotational transitions in H₂O + H₂O collisions
Structure and dynamics of chemical systems: Honoring Prof. Narayana Sathyamurthy’s 75^th birthday
Physical Chemistry Chemical Physics, 27, 23000, 2025
[DOI Link]
Santiago Perez-Hernando, Manuel Lara, Mandal B., Sanz-Sanz C., Jambrina P., Naduvalath B., Aoiz J., Resonances in inelastic collisions of Ne+D₂ in the cold energy regime
Journal of Chemical Physics, 163, 224304, 2025
[DOI Link]

Quantum Scattering with Neural Network

Publications