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 | 33 | 2021 |
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 | 33 | 2018 |
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 | 12 | 2019 |
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 | 8 | 2022 |
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 | 8 | 2022 |
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 | 8 | 2020 |
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 | 5 | 2018 |
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 | 2 | 2019 |
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 | 1 | 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 32nd Technical Conference of the American Society for Composites 2017, 1811-1818, 2017 | | 2017 |
Uncertainties of parameters to predictions of polymer properties by mlecular simulations L Alzate-Vargas, C Li, B Haley, M Fortunato, C Colina, A Strachan 32nd Technical Conference of the American Society for Composites 2017, 1832-1839, 2017 | | 2017 |
Quantum model of a biological attack using MAPLE LLA Vargas Sensing Technologies for Global Health, Military Medicine, Disaster Response …, 2012 | | 2012 |