| DeePMD-kit v2: A software package for deep potential models J Zeng, D Zhang, D Lu, P Mo, Z Li, Y Chen, M Rynik, L Huang, Z Li, S Shi, ... The Journal of Chemical Physics 159 (5), 2023 | 64 | 2023 |
| Supramolecular packing drives morphological transitions of charged surfactant micelles K Schäfer, HB Kolli, M Killingmoe Christensen, SL Bore, G Diezemann, ... Angewandte Chemie 132 (42), 18750-18757, 2020 | 57 | 2020 |
| Dispersion state phase diagram of citrate-coated metallic nanoparticles in saline solutions S Franco-Ulloa, G Tatulli, SL Bore, M Moglianetti, PP Pompa, M Cascella, ... Nature Communications 11 (1), 5422, 2020 | 52 | 2020 |
| A “short blanket” dilemma for a state-of-the-art neural network potential for water: Reproducing experimental properties or the physics of the underlying many-body interactions? Y Zhai, A Caruso, SL Bore, Z Luo, F Paesani The Journal of Chemical Physics 158 (8), 2023 | 35 | 2023 |
| Realistic phase diagram of water from “first principles” data-driven quantum simulations SL Bore, F Paesani Nature communications 14 (1), 3349, 2023 | 28* | 2023 |
| Hybrid particle-field model for conformational dynamics of peptide chains SL Bore, G Milano, M Cascella Journal of Chemical Theory and Computation 14 (2), 1120-1130, 2018 | 28 | 2018 |
| Hybrid particle-field molecular dynamics simulations of charged amphiphiles in an aqueous environment HB Kolli, A De Nicola, SL Bore, K Schäfer, G Diezemann, J Gauss, ... Journal of Chemical Theory and Computation 14 (9), 4928-4937, 2018 | 27 | 2018 |
| Mesoscale electrostatics driving particle dynamics in nonhomogeneous dielectrics SL Bore, HB Kolli, T Kawakatsu, G Milano, M Cascella Journal of Chemical Theory and Computation 15 (3), 2033-2041, 2019 | 21 | 2019 |
| Aggregation of lipid A variants: A hybrid particle-field model A De Nicola, TA Soares, DES Santos, SL Bore, GJA Sevink, M Cascella, ... Biochimica et Biophysica Acta (BBA)-General Subjects 1865 (4), 129570, 2021 | 17 | 2021 |
| Data-driven many-body potential energy functions for generic molecules: Linear alkanes as a proof-of-concept application EF Bull-Vulpe, M Riera, SL Bore, F Paesani Journal of Chemical Theory and Computation 19 (14), 4494-4509, 2022 | 16 | 2022 |
| Hybrid particle-field molecular dynamics under constant pressure SL Bore, HB Kolli, A De Nicola, M Byshkin, T Kawakatsu, G Milano, ... The Journal of chemical physics 152 (18), 2020 | 16 | 2020 |
| Phase diagram of the TIP4P/Ice water model by enhanced sampling simulations SL Bore, PM Piaggi, R Car, F Paesani The Journal of Chemical Physics 157 (5), 2022 | 14 | 2022 |
| Can polarity-inverted surfactants self-assemble in nonpolar solvents? M Carrer, T Škrbić, SL Bore, G Milano, M Cascella, A Giacometti The Journal of Physical Chemistry B 124 (29), 6448-6458, 2020 | 13 | 2020 |
| Coupling spin to velocity: collective motion of Hamiltonian polar particles SL Bore, M Schindler, KDNT Lam, E Bertin, O Dauchot Journal of Statistical Mechanics: Theory and Experiment 2016 (3), 033305, 2016 | 12 | 2016 |
| Automated determination of hybrid particle-field parameters by machine learning M Ledum, S Løland Bore, M Cascella Molecular Physics 118 (19-20), e1785571, 2020 | 10 | 2020 |
| Hamiltonian and alias-free hybrid particle–field molecular dynamics SL Bore, M Cascella The Journal of Chemical Physics 153 (9), 2020 | 10 | 2020 |
| HylleraasMD: A Domain Decomposition-Based Hybrid Particle-Field Software for Multiscale Simulations of Soft Matter M Ledum, S Sen, X Li, M Carrer, Y Feng, M Cascella, SL Bore Journal of Chemical Theory and Computation 19 (10), 2939-2952, 2023 | 7 | 2023 |
| HylleraasMD: Massively parallel hybrid particle-field molecular dynamics in Python M Ledum, M Carrer, S Sen, X Li, M Cascella, SL Bore Journal of Open Source Software 8 (84), 4149, 2023 | 4 | 2023 |
| Soft matter under pressure: Pushing particle–field molecular dynamics to the isobaric ensemble S Sen, M Ledum, SL Bore, M Cascella Journal of Chemical Information and Modeling 63 (7), 2207-2217, 2023 | 4 | 2023 |
| Many-body potential for simulating the self-assembly of polymer-grafted nanoparticles in a polymer matrix Y Zhou, SL Bore, AR Tao, F Paesani, G Arya npj Computational Materials 9 (1), 224, 2023 | 3 | 2023 |
Michele CascellaUniversity of OsloVerified email at kjemi.uio.no
