| Ab Initio Prediction of Adsorption Isotherms for Small Molecules in Metal–Organic Frameworks A Kundu, GM Piccini, K Sillar, J Sauer J. Am. Chem. Soc, 2016, 138, 14047-14056, 2016 | 80 | 2016 |
| Wet-chemical synthesis of spherical arsenic nanoparticles by a simple reduction method and its characterization A Pal, S Saha, SK Maji, M Kundu, A Kundu Advanced Materials Letters 3 (3), 177-180, 2012 | 47 | 2012 |
| Ab Initio Adsorption Isotherms for Molecules with Lateral Interactions: CO2 in Metal–Organic Frameworks K Sillar, A Kundu, J Sauer The Journal of Physical Chemistry C 121 (23), 12789-12799, 2017 | 43 | 2017 |
| Ab Initio Prediction of Adsorption Isotherms for Gas Mixtures by Grand Canonical Monte Carlo Simulations on a Lattice of Sites A Kundu, K Sillar, J Sauer Journal of Physical Chemistry Letters 8, 2713-2718, 2017 | 34 | 2017 |
| Quantum vibronic effects on the electronic properties of solid and molecular carbon A Kundu*, M Govoni, H Yang, M Ceriotti, F Gygi, G Galli* Phys. Rev. Materials 5, L070801, 2021 | 28 | 2021 |
| Quantum vibronic effects on the electronic properties of solid and molecular carbon A Kundu*, M Govoni, H Yang, M Ceriotti, F Gygi, G Galli* https://arxiv.org/abs/2104.11065, 2021 | 28 | 2021 |
| Predicting adsorption selectivities from pure gas isotherms for gas mixtures in metal–organic frameworks A Kundu, K Sillar, J Sauer Chemical Science 11 (3), 643-655, 2020 | 27 | 2020 |
| Influence of nuclear quantum effects on the electronic properties of amorphous carbon A Kundu*, Y Song, G Galli* Proceedings of the National Academy of Sciences 119 (31), e2203083119, 2022 | 15 | 2022 |
| Computational protocol to evaluate electron–phonon interactions within density matrix perturbation theory H Yang, M Govoni, A Kundu, G Galli Journal of Chemical Theory and Computation 18 (10), 6031-6042, 2022 | 12 | 2022 |
| Combined first-principles calculations of electron-electron and electron-phonon self-energies in condensed systems H Yang, M Govoni, A Kundu, G Galli Journal of Chemical Theory and Computation 17 (12), 7468-7476, 2021 | 11 | 2021 |
| Galvanic replacement of As (0) nanoparticles by Au (III) for nanogold fabrication and SERS application A Pal, S Saha, SK Maji, R Sahoo, M Kundu, A Kundu New Journal of Chemistry 38 (4), 1675-1683, 2014 | 10 | 2014 |
| Quantum Vibronic Effects on the Excitation Energies of the Nitrogen-Vacancy Center in Diamond A Kundu*, G Galli* The Journal of Physical Chemistry Letters 15, 802-810, 2024 | 8 | 2024 |
| Quantum simulations of thermally activated delayed fluorescence in an all-organic emitter T Francese, A Kundu, F Gygi, G Galli Physical Chemistry Chemical Physics 24 (17), 10101-10113, 2022 | 7 | 2022 |
| Nuclear quantum effects on the electronic structure of water and ice ML Berrens, A Kundu, MF Calegari Andrade, TA Pham, G Galli, ... The Journal of Physical Chemistry Letters 15 (26), 6818-6825, 2024 | 5 | 2024 |
| Quantum Vibronic Effects on the Electronic Properties of Molecular Crystals A Kundu*, G Galli* Journal of Chemical Theory and Computation 19 (13), 4011 - 4022, 2023 | 5 | 2023 |
| Ab Initio Prediction of Adsorption Selectivities for Binary Gas Mixtures on a Heterogeneous Metal–Organic Framework Surface K Sillar*, A Kundu*, J Sauer The Journal of Physical Chemistry C 127 (27), 13317, 2023 | 3 | 2023 |
| PyEPFD: a Python library for computing electron-phonon renormalizations from finite displacements A Kundu https://pyepfd.readthedocs.io/en/latest/, 2023 | 2 | 2023 |
| Ab Initio Prediction of Isotherms for Pure and Mixed Gas Adsorption in Metal-organic Frameworks A Kundu Humboldt-Universität zu Berlin, 2018 | 1 | 2018 |
| Supercritical Water: Density-Independent Angular Jumps A Choudhary, A Kundu, C Singh, A Sharma, KK Pant, A Chandra The Journal of Physical Chemistry B, 2025 | | 2025 |
| Unlocking Mesoscopic Disorder in Graphitic Carbon with Spectroelectrochemistry R Papadopoulos[+], B Masters[+], A Kundu[+], N Maldonado, AS Filatov, ... Angewandte Chemie (International ed. in English), e202420680, 2024 | | 2024 |
Giulia GalliLiew Family Professor of Molecular Engineering, Professor of Chemistry,University of ChicagoVerified email at uchicago.edu
