| A universal co-solvent dilution strategy enables facile and cost-effective fabrication of perovskite photovoltaics H Zhang, K Darabi, NY Nia, A Krishna, P Ahlawat, B Guo, MHS Almalki, ... Nature Communications 13 (1), 89, 2022 | 83 | 2022 |
| Accuracy of Molecular Simulation-Based Predictions of koff Values: A Metadynamics Study R Capelli, W Lyu, V Bolnykh, S Meloni, JMH Olsen, U Rothlisberger, ... The journal of physical chemistry letters 11 (15), 6373-6381, 2020 | 46 | 2020 |
| Extreme scalability of DFT-based QM/MM MD simulations using MiMiC V Bolnykh, JMH Olsen, S Meloni, MP Bircher, E Ippoliti, P Carloni, ... Journal of chemical theory and computation 15 (10), 5601-5613, 2019 | 43 | 2019 |
| MiMiC: a novel framework for multiscale modeling in computational chemistry JMH Olsen, V Bolnykh, S Meloni, E Ippoliti, MP Bircher, P Carloni, ... Journal of chemical theory and computation 15 (6), 3810-3823, 2019 | 39 | 2019 |
| Recent advances in first-principles based molecular dynamics F Mouvet, J Villard, V Bolnykh, U Rothlisberger Accounts of Chemical Research 55 (3), 221-230, 2022 | 33 | 2022 |
| Molecular basis of CLC antiporter inhibition by fluoride MG Chiariello, V Bolnykh, E Ippoliti, S Meloni, JMH Olsen, T Beck, ... Journal of the American Chemical Society 142 (16), 7254-7258, 2020 | 27 | 2020 |
| Expanding the boundaries of ligand–target modeling by exascale calculations V Bolnykh, G Rossetti, U Rothlisberger, P Carloni Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (4), e1535, 2021 | 10 | 2021 |
| MiMiC: multiscale modeling in computational chemistry V Bolnykh, JMH Olsen, S Meloni, MP Bircher, E Ippoliti, P Carloni, ... Frontiers in molecular biosciences 7, 45, 2020 | 8 | 2020 |
| Wavefunction-based electrostatic-embedding QM/MM using CFOUR through MiMiC T Kirsch, JMH Olsen, V Bolnykh, S Meloni, E Ippoliti, U Rothlisberger, ... Journal of Chemical Theory and Computation 18 (1), 13-24, 2021 | 5 | 2021 |
| Biomolecular Simulation: A Perspective from High Performance Computing V Bolnykh, U Rothlisberger, P Carloni Israel journal of chemistry 60 (7), 694-704, 2020 | 3 | 2020 |
| Author Correction: A universal co-solvent dilution strategy enables facile and cost-effective fabrication of perovskite photovoltaics H Zhang, K Darabi, NY Nia, A Krishna, P Ahlawat, B Guo, MHS Almalki, ... nature communications 13, 2022 | 1 | 2022 |
| Scalability of 3D-DFT by block tensor-matrix multiplication on the JUWELS Cluster N Malapally, V Bolnykh, E Suarez, P Carloni, T Lippert, D Mandelli arXiv preprint arXiv:2303.13337, 2023 | | 2023 |
| Massively parallel quantum mechanical/molecular mechanical interface V Bolnykh Dissertation, RWTH Aachen University, 2019, 2019 | | 2019 |
Ursula RothlisbergerProfessor of Computational Chemistry and BiochemistryVerified email at epfl.ch
