| Nonequilibrium free-energy calculation of solids using LAMMPS R Freitas, M Asta, M de Koning Computational Materials Science 112, 333-341, 2016 | 179 | 2016 |
| Atomistic insights into metal hardening LA Zepeda-Ruiz, A Stukowski, T Oppelstrup, N Bertin, NR Barton, ... Nature Materials, 1-6, 2020 | 121 | 2020 |
| Uncovering the effects of interface-induced ordering of liquid on crystal growth using machine learning R Freitas, EJ Reed Nature communications 11 (1), 3260, 2020 | 68 | 2020 |
| Free energy of grain boundary phases: Atomistic calculations for grain boundary in Cu R Freitas, RE Rudd, M Asta, T Frolov Physical Review Materials 2 (9), 093603, 2018 | 42 | 2018 |
| Dual phase patterning during a congruent grain boundary phase transition in elemental copper L Langenohl, T Brink, R Freitas, T Frolov, G Dehm, CH Liebscher Nature Communications 13 (1), 3331, 2022 | 36 | 2022 |
| Machine-learning potentials for crystal defects R Freitas, Y Cao MRS Communications 12 (5), 510-520, 2022 | 34 | 2022 |
| Spectrum of Exfoliable 1D van der Waals Molecular Wires and Their Electronic Properties Y Zhu, DA Rehn, ER Antoniuk, G Cheon, R Freitas, A Krishnapriyan, ... ACS nano 15 (6), 9851-9859, 2021 | 30 | 2021 |
| The Uhlenbeck-Ford model: Exact virial coefficients and application as a reference system in fluid-phase free-energy calculations R Paula Leite, R Freitas, R Azevedo, M de Koning The Journal of Chemical Physics 145 (19), 194101, 2016 | 26 | 2016 |
| Data-centric framework for crystal structure identification in atomistic simulations using machine learning HW Chung, R Freitas, G Cheon, EJ Reed Physical Review Materials 6 (4), 043801, 2022 | 25 | 2022 |
| Anomalous diffusion of water molecules at grain boundaries in ice I h PAFP Moreira, RG de Aguiar Veiga, I de Almeida Ribeiro, R Freitas, ... Physical Chemistry Chemical Physics 20 (20), 13944-13951, 2018 | 22 | 2018 |
| Step free energies at faceted solid surfaces: Theory and atomistic calculations for steps on the Cu (111) surface R Freitas, T Frolov, M Asta Physical Review B 95 (15), 155444, 2017 | 20 | 2017 |
| Quantum effects on dislocation motion from ring-polymer molecular dynamics R Freitas, M Asta, VV Bulatov npj Computational Materials 4 (1), 55, 2018 | 18 | 2018 |
| Quantifying chemical short-range order in metallic alloys K Sheriff, Y Cao, T Smidt, R Freitas Proceedings of the National Academy of Sciences 121 (25), e2322962121, 2024 | 16 | 2024 |
| Transferable Kinetic Monte Carlo Models with Thousands of Reactions Learned from Molecular Dynamics Simulations E Chen, Q Yang, V Dufour-Décieux, CA Sing-Long, R Freitas, EJ Reed The Journal of Physical Chemistry A 123 (9), 1874-1881, 2019 | 12 | 2019 |
| Free energy of steps at faceted (111) solid-liquid interfaces in the Si-Al system calculated using capillary fluctuation method P Saidi, R Freitas, T Frolov, M Asta, JJ Hoyt Computational Materials Science 134, 184-189, 2017 | 10 | 2017 |
| Capturing short-range order in high-entropy alloys with machine learning potentials Y Cao, K Sheriff, R Freitas arXiv preprint arXiv:2401.06622, 2024 | 9 | 2024 |
| Capillary fluctuations of surface steps: An atomistic simulation study for the model Cu (111) system R Freitas, T Frolov, M Asta Physical Review E 96 (4), 043308, 2017 | 8 | 2017 |
| Chemical-motif characterization of short-range order with E(3)-equivariant graph neural networks K Sheriff, Y Cao, R Freitas npj Computational Materials 10 (1), 215, 2024 | 5 | 2024 |
| Atomic-Level Features for Kinetic Monte Carlo Models of Complex Chemistry from Molecular Dynamics Simulations V Dufour-Décieux, R Freitas, EJ Reed The Journal of Physical Chemistry A, 2021 | 5* | 2021 |
| Temperature Extrapolation of Molecular Dynamics Simulations of Complex Chemistry to Microsecond Timescales Using Kinetic Models: Applications to Hydrocarbon Pyrolysis V Dufour-Décieux, B Ransom, AD Sendek, R Freitas, J Blanchet, EJ Reed Journal of Chemical Theory and Computation 18 (12), 7496-7509, 2022 | 4 | 2022 |
M. AstaUniversity of California, Sandia National Laboratories, Northwestern Universityberkeley.edu의 이메일 확인됨