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kevin rossi
kevin rossi
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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), 2021
702021
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
682022
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), 2018
542018
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
442022
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
412021
Metallic nanoparticles meet metadynamics
L Pavan, K Rossi, F Baletto
The Journal of chemical physics 143 (18), 2015
372015
On machine learning force fields for metallic nanoparticles
C Zeni, K Rossi, A Glielmo, F Baletto
Advances in Physics: X 4 (1), 1654919, 2019
362019
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
352021
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
342020
Alloying as a Strategy to Boost the Stability of Copper Nanocatalysts during the Electrochemical CO2 Reduction Reaction
V Okatenko, A Loiudice, MA Newton, DC Stoian, A Blokhina, AN Chen, ...
Journal of the American Chemical Society 145 (9), 5370-5383, 2023
332023
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
282021
Thermodynamics of CuPt nanoalloys
K Rossi, LB Pártay, G Csányi, F Baletto
Scientific reports 8 (1), 1-9, 2018
282018
Structural screening and design of platinum nanosamples for oxygen reduction
K Rossi, GG Asara, F Baletto
Acs Catalysis 10 (6), 3911-3920, 2020
272020
A genomic characterisation of monometallic nanoparticles
K Rossi, GG Asara, F Baletto
Physical Chemistry Chemical Physics 21 (9), 4888-4898, 2019
252019
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
242018
Exploring the robust extrapolation of high-dimensional machine learning potentials
C Zeni, A Anelli, A Glielmo, K Rossi
Physical Review B 105 (16), 165141, 2022
202022
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
202016
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
192017
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
172017
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), 2021
162021
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