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Lorena Alzate-Vargas
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Insight into SEI growth in Li-ion batteries using molecular dynamics and accelerated chemical reactions
L Alzate-Vargas, SM Blau, EWC Spotte-Smith, S Allu, KA Persson, ...
The Journal of Physical Chemistry C 125 (34), 18588-18596, 2021
292021
Uncertainties on predictions of thermo-physical properties of thermoplastic polymers via molecular dynamics
L Alzate-Vargas, M Fortunato, BP Haley, C Li, C Colina, A Strachan
Modelling and Simulation in Materials Science and Engineering, 2018
292018
Mechanically induced amorphization of small molecule organic crystals
Y Zeng, L Alzate-Vargas, C Li, R Graves, J Brum, A Strachan, ...
Modelling and Simulation in Materials Science and Engineering 27 (7), 074005, 2019
132019
Systematic Builder for All‐Atom Simulations of Plastically Bonded Explosives
C Li, BW Hamilton, T Shen, L Alzate, A Strachan
Propellants, Explosives, Pyrotechnics 47 (8), e202200003, 2022
82022
Atomistic modeling of LiF microstructure ionic conductivity and its influence on nucleation and plating
L Alzate-Vargas, KSN Vikrant, S Allu, JL Fattebert
Physical Review Materials 6 (9), 095402, 2022
62022
Universality in Spatio-Temporal High-Mobility Domains Across the Glass Transition from Bulk Polymers to Single Chains
L Alzate-Vargas, N Onofrio, A Strachan
Macromolecules 53 (21), 9375-9385, 2020
62020
Electronic and topological analysis for new phases of chromium nitride
M Marín‐Suárez, LL Alzate‐Vargas, J David, M Arroyave‐Franco, ...
physica status solidi (a) 215 (1), 1700576, 2018
52018
Online simulation powered learning modules for materials science
ST Reeve, DM Guzman, L Alzate-Vargas, B Haley, P Liao, A Strachan
MRS Advances 4 (50), 2727-2742, 2019
22019
Building a DFT+ U machine learning interatomic potential for uranium dioxide
E Stippell, L Alzate-Vargas, KN Subedi, RM Tutchton, MWD Cooper, ...
Artificial Intelligence Chemistry 2 (1), 100042, 2024
2024
Development of a Machine Learning Interatomic Potential for Uranium Nitride
L Alzate-Vargas, R Messerly, R Tutchton, K Subedi, M Cooper, T Gibson
Bulletin of the American Physical Society, 2024
2024
Modeling First Stages of Solid-Electrolyte Interphase (SEI) in LiPF6/EC Electrolytes Using Molecular Dynamics Simulations
L Alzate-Vargas, S Allu, JL Fattebert
Electrochemical Society Meeting Abstracts 239, 171-171, 2021
2021
Atomistic Composite Simulations with Modular Software Tools on nanoHUB. org
BP HALEY, LA VARGAS, C LI, A STRACHAN
Proceedings of the American Society for Composites — Thirty-second …, 2017
2017
Uncertainties of Parameters to Predictions of Polymer Properties by Molecular Simulations
L ALZATE-VARGAS, C LI, B HALEY, M FORTUNATO, C COLINA, ...
Proceedings of the American Society for Composites — Thirty-second …, 2017
2017
Quantum model of a biological attack using MAPLE
LLA Vargas
Sensing Technologies for Global Health, Military Medicine, Disaster Response …, 2012
2012
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Articles 1–14