| Building machine learning force fields for nanoclusters C Zeni, K Rossi, A Glielmo, Á Fekete, N Gaston, F Baletto, A De Vita The Journal of chemical physics 148 (24), 241739, 2018 | 49 | 2018 |
| Uncertainty estimation for molecular dynamics and sampling G Imbalzano, Y Zhuang, V Kapil, K Rossi, EA Engel, F Grasselli, M Ceriotti The Journal of Chemical Physics 154 (7), 074102, 2021 | 48 | 2021 |
| On machine learning force fields for metallic nanoparticles C Zeni, K Rossi, A Glielmo, F Baletto Advances in Physics: X 4 (1), 1654919, 2019 | 31 | 2019 |
| Simulating Solvation and Acidity in Complex Mixtures with First-Principles Accuracy: The Case of CH3SO3H and H2O2 in Phenol K Rossi, V Jurásková, R Wischert, L Garel, C Corminbœuf, M Ceriotti Journal of chemical theory and computation 16 (8), 5139-5149, 2020 | 29 | 2020 |
| Metallic nanoparticles meet metadynamics L Pavan, K Rossi, F Baletto The Journal of chemical physics 143 (18), 184304, 2015 | 29 | 2015 |
| Elucidating the structure-dependent selectivity of CuZn towards methane and ethanol in CO 2 electroreduction using tailored Cu/ZnO precatalysts SB Varandili, D Stoian, J Vavra, K Rossi, JR Pankhurst, YT Guntern, ... Chemical Science 12 (43), 14484-14493, 2021 | 28 | 2021 |
| Well-Defined Copper-Based Nanocatalysts for Selective Electrochemical Reduction of CO2 to C2 Products L Zaza, K Rossi, R Buonsanti ACS Energy Letters 7 (4), 1284-1291, 2022 | 27 | 2022 |
| Thermodynamics of CuPt nanoalloys K Rossi, LB Pártay, G Csányi, F Baletto Scientific reports 8 (1), 1-9, 2018 | 24 | 2018 |
| Structural screening and design of platinum nanosamples for oxygen reduction K Rossi, GG Asara, F Baletto Acs Catalysis 10 (6), 3911-3920, 2020 | 20 | 2020 |
| A genomic characterisation of monometallic nanoparticles K Rossi, GG Asara, F Baletto Physical Chemistry Chemical Physics 21 (9), 4888-4898, 2019 | 20 | 2019 |
| Melting of large Pt@ MgO (1 0 0) icosahedra K Rossi, T Ellaby, LO Paz-Borbón, I Atanasov, L Pavan, F Baletto Journal of Physics: Condensed Matter 29 (14), 145402, 2017 | 19 | 2017 |
| Controlling structural transitions in AuAg nanoparticles through precise compositional design AL Gould, K Rossi, CRA Catlow, F Baletto, AJ Logsdail The journal of physical chemistry letters 7 (21), 4414-4419, 2016 | 19 | 2016 |
| Data-driven simulation and characterisation of gold nanoparticle melting C Zeni, K Rossi, T Pavloudis, J Kioseoglou, S de Gironcoli, RE Palmer, ... Nature Communications 12 (1), 6056, 2021 | 17 | 2021 |
| The effect of size and composition on structural transitions in monometallic nanoparticles K Rossi, L Pavan, YY Soon, F Baletto The European Physical Journal B 91, 1-8, 2018 | 17 | 2018 |
| The effect of chemical ordering and lattice mismatch on structural transitions in phase segregating nanoalloys K Rossi, F Baletto Physical Chemistry Chemical Physics 19 (18), 11057-11063, 2017 | 15 | 2017 |
| Compact atomic descriptors enable accurate predictions via linear models C Zeni, K Rossi, A Glielmo, S De Gironcoli The Journal of Chemical Physics 154 (22), 224112, 2021 | 13 | 2021 |
| A universal signature in the melting of metallic nanoparticles L Delgado-Callico, K Rossi, R Pinto-Miles, P Salzbrenner, F Baletto Nanoscale 13 (2), 1172-1180, 2021 | 13 | 2021 |
| Shaping Copper Nanocatalysts to Steer Selectivity in the Electrochemical CO2 Reduction Reaction K Rossi, R Buonsanti Accounts of Chemical Research 55 (5), 629-637, 2022 | 11 | 2022 |
| Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solution F Comitani, K Rossi, M Ceriotti, ME Sanz, C Molteni The Journal of chemical physics 146 (14), 145102, 2017 | 11 | 2017 |
| Born to be different: the formation process of Cu nanoparticles tunes the size trend of the activity for CO 2 to CH 4 conversion E Gazzarrini, K Rossi, F Baletto Nanoscale 13 (11), 5857-5867, 2021 | 8 | 2021 |
