| First-principles Green's-function method for surface calculations: A pseudopotential localized basis set approach S Smidstrup, D Stradi, J Wellendorff, PA Khomyakov, UG Vej-Hansen, ... Physical Review B 96 (19), 195309, 2017 | 245 | 2017 |
| Rh1/γ‐Al2O3 Single‐Atom Catalysis of O2 Activation and CO Oxidation: Mechanism, Effects of Hydration, Oxidation State, and Cluster Size TK Ghosh, NN Nair ChemCatChem 5 (7), 1811-1821, 2013 | 113 | 2013 |
| Molecular van der Waals fluids in cavity quantum electrodynamics JP Philbin, TS Haugland, TK Ghosh, E Ronca, M Chen, P Narang, H Koch The Journal of Physical Chemistry Letters 14 (40), 8988-8993, 2023 | 12 | 2023 |
| Alumina-supported Rh, Rh 2, and Rh I (CO) as catalysts for hydrogen evolution from water TK Ghosh, NN Nair Surface Science 632, 20-27, 2015 | 11 | 2015 |
| Reweighted Manifold Learning of Collective Variables from Enhanced Sampling Simulations J Rydzewski, M Chen, TK Ghosh, O Valsson Journal of Chemical Theory and Computation 18 (12), 7179-7192, 2022 | 10 | 2022 |
| To study the interactions between saccharide/their derivatives and bactericidal cefadroxil drug: Volumetric, acoustic and molecular docking studies K Kaur, S Arti, TK Ghosh, TS Banipal, PK Banipal The Journal of Chemical Thermodynamics 159, 106477, 2021 | 8 | 2021 |
| Host-guest interaction of trimethoprim drug with cyclodextrins in aqueous solutions: Calorimetric, spectroscopic, volumetric and theoretical approach S Arti, K Kaur, J Kaur, TK Ghosh, TS Banipal, PK Banipal Journal of Molecular Liquids 329, 115431, 2021 | 8 | 2021 |
| Mn dimer can be described accurately with density functional calculations when self-interaction correction is applied AV Ivanov, TK Ghosh, EO Jonsson, H Jonsson The Journal of Physical Chemistry Letters 12 (17), 4240-4246, 2021 | 8 | 2021 |
| Nature of β-TaON surfaces at ambient conditions TK Ghosh, NN Nair Surface Science 635, 19-26, 2015 | 7 | 2015 |
| Understanding the polaritonic ground state in cavity quantum electrodynamics TS Haugland, JP Philbin, TK Ghosh, M Chen, H Koch, P Narang arXiv preprint arXiv:2307.14822, 2023 | 6 | 2023 |
| Oxidative Addition of Water to Rh n (n= 1–4) Clusters on Alumina Surfaces and Spontaneous Formation of H2 TK Ghosh, NN Nair The Journal of Physical Chemistry C 115 (31), 15403-15409, 2011 | 4 | 2011 |
| How Solvation Energetics Dampen the Hydrogen Evolution Reaction to Maximize Zinc Anode Stability K Roy, A Rana, TK Ghosh, JN Heil, S Roy, KJ Vannoy, BM Tackett, ... Advanced Energy Materials, 2303998, 2024 | 1 | 2024 |
| The phase transformation behavior of Mn-Al rare-earth-free permanent magnets T Keller, D Barbagallo, N Sheremetyeva, TK Ghosh, KS Shanks, ... Journal of Magnetism and Magnetic Materials 587, 171331, 2023 | 1 | 2023 |
| Suppression of anti-phase boundary defects in Mn-Al-Ti permanent magnets T Keller, D Barbagallo, TK Ghosh, N Sheremetyeva, G Hautier, I Baker Acta Materialia 265, 119646, 2024 | | 2024 |
| Unbiasing Enhanced Sampling on a High-dimensional Free Energy Surface with Deep Generative Model Y Liu, TK Ghosh, M Chen arXiv preprint arXiv:2312.09404, 2023 | | 2023 |
| Semi-infinite solid model for DFT calculations of surface properties, rather than slab S Smidstrup, T Ghosh, E Jonsson, K Stokbro, H Jonsson ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
