Tapta Kanchan Roy

10PUBLICATIONS
3CO-AUTHORS
Theoretical quantum chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Dynamics, vibration and vibration controlComputational chemistry
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Publications (10)

|May 07, 2026
Hybrid quartic force fields with atom-specific basis sets: an efficient route to calculate anharmonic vibrational spectra.

|Oct 17, 2025
A reduced-parameter variational strategy for accelerated evaluation of thermal density matrices via quantum effective harmonic oscillators approach.

Mokshi Sharma, Tapta Kanchan Roy

|Aug 05, 2025
Deciphering the interplay of different electronic and vibrational structure theory parameters for the computation of anharmonic molecular vibrations.

Dhiksha Sharma, Tapta Kanchan Roy

|Jan 19, 2025
Accelerating Quantum Anharmonic Vibrational Calculations by Atom-Specific Hybrid Basis Set-Based Potential Energy Surface Approach.

Mokshi Sharma, Dhiksha Sharma, Tapta Kanchan Roy

|Nov 22, 2024
Vibrational mode tailoring approach: an efficient route to compute anharmonic molecular vibrations of large molecules.

Hrishit Mitra, Dhiksha Sharma, Tapta Kanchan Roy

|Jul 09, 2024
Performance of Effective Harmonic Oscillator Approach for the Calculations of Vibrational Transition Energies of Large Molecules.

Mokshi Sharma, Subrata Banik, Tapta Kanchan Roy

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Frequent Collaborators

1 joint publications

R Benny Gerber

1 joint publications

Subrata Banik

1 joint publications

Dhiksha Sharma