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The Journal of Chemical Physics|October 22, 2020
Transferability of self-energy correction in tight-binding basis constructed from first principlesManoar Hossain, Joydeep BhattacharjeeThe Journal of Physical Chemistry. A|July 29, 2021
Hybrid Atomic Orbital Basis from First Principles: Bottom-Up Mapping of Self-Energy Correction to Large Covalent SystemsManoar Hossain, Joydev De, Joydeep BhattacharjeePhysical Chemistry Chemical Physics : PCCP|December 23, 2022
Maximally valent orbitals in systems with non-ideal bond-angles: atomic Wannier orbitals guided by the Mayer bond orderJoydev De, Sujith N S, Manoar Hossain, et al.Chemistry, an Asian Journal|June 13, 2023
Desolvation Induced Conformational Transition in a Cryptophane Host: Crystal To Crystal TransformationPriyanka Ghosh, Manoar Hossain, Pardha Saradhi Satha, et al.The Journal of Chemical Physics|February 10, 2025
Nonempirical dielectric dependent hybrid as an accurate starting point for the single shot G0W0 calculation of chalcopyrite semiconductorsSubrata Jana, Arghya Ghosh, Abhishek Bhattacharjee, et al.Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|July 6, 2026
An exciting Approach to Theoretical SpectroscopyMartí Raya-Moreno, Alexander Buccheri, Noah Alexy Dasch, et al.Pageof 1