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Rodrigo Freitas
Rodrigo Freitas
Assistant Professor of Materials Science and Engineering, MIT
Bestätigte E-Mail-Adresse bei mit.edu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
Nonequilibrium free-energy calculation of solids using LAMMPS
R Freitas, M Asta, M de Koning
Computational Materials Science 112, 333-341, 2016
1512016
Atomistic insights into metal hardening
LA Zepeda-Ruiz, A Stukowski, T Oppelstrup, N Bertin, NR Barton, ...
Nature Materials, 1-6, 2020
902020
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
502020
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
382018
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
252022
Machine-learning potentials for crystal defects
R Freitas, Y Cao
MRS Communications 12 (5), 510-520, 2022
232022
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
232021
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
202016
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
192017
Quantum effects on dislocation motion from ring-polymer molecular dynamics
R Freitas, M Asta, VV Bulatov
npj Computational Materials 4 (1), 55, 2018
182018
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
182018
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
152022
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
112019
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
102017
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
62017
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
4*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
32022
Quantifying chemical short-range order in metallic alloys
K Sheriff, Y Cao, T Smidt, R Freitas
arXiv preprint arXiv:2311.01545, 2023
12023
Na vs Li Metal Anodes For Batteries: Unraveling Thermodynamic and Electronic Origins of Voids and Developing Descriptors for Artificial Surface Coatings
V Venturi, R Freitas, I Abate
2024
Comprehensive Analysis of Ordering in CoCrNi and CrNi2 Alloys
F Coury, V Bacurau, P Moreira, G Bertoli, A Andreolli, E Mazzer, F Assis, ...
2024
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