| Gaussian mixture-based enhanced sampling for statics and dynamics J Debnath, M Parrinello The Journal of Physical Chemistry Letters 11 (13), 5076-5080, 2020 | 42 | 2020 |
| Gaussian Mixture Based Enhanced Sampling J Debnath, M Parrinello arXiv, arXiv: 1909.07773, 2019 | 42* | 2019 |
| Enhanced sampling and free energy calculations with hybrid functionals and plane waves for chemical reactions S Mandal, J Debnath, B Meyer, NN Nair The Journal of Chemical Physics 149 (14), 2018 | 26 | 2018 |
| Enhanced sampling of transition states J Debnath, M Invernizzi, M Parrinello Journal of chemical theory and computation 15 (4), 2454-2459, 2019 | 25 | 2019 |
| Computing Rates and Understanding Unbinding Mechanisms in Host–Guest Systems J Debnath, M Parrinello Journal of Chemical Theory and Computation 18 (3), 1314-1319, 2022 | 5 | 2022 |
| Kinetics of drug release from clay using enhanced sampling methods A Borrego-Sánchez, J Debnath, M Parrinello Pharmaceutics 14 (12), 2586, 2022 | 3 | 2022 |
| A Cu (II) pseudopeptide complex: Surrogate to a formal Cu (III) species in water and inhibitor of cancer cell proliferation R Eerlapally, SK Vechalapu, S Duraisamy, DL Hareendran, J Debnath, ... Inorganic Chemistry Frontiers, 2024 | | 2024 |
| Rare Event Dynamics J Debnath ETH Zurich, 2022 | | 2022 |
| Rare Event Rates From Probability Distributions J Debnath, M Parrinello Bulletin of the American Physical Society, 2021 | | 2021 |
| Computational modeling of praziquantel drug release from montmorillonite clay using enhanced sampling method AB Sánchez, J Debnath, M Parrinello RESCIFAR Revista Española de Ciencias Farmacéuticas 2 (2), 44-45, 2021 | | 2021 |
| A database-based approach for predicting coupled cascade reaction kinetics in polymers: application to oxidative degradation kinetics of high-performance polymers J Debnath, S Kunnikuruvan, N Sinha, PV Parandekar, O Prakash, ... Molecular Simulation 44 (7), 582-589, 2018 | | 2018 |
michele parrinelloDepartment of ChemistryVerified email at phys.chem.ethz.ch
