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Publication	Type	Year
Magneto-elastic predictions with LAMMPS and the SPIN package LAMMPS Workshop 2021 Julien Guy Tranchida	Conference Presentation – 2021 Conference Presentation	2021
Large-scale theroretical predictions of pressure and temperature ramps in iron LAMMPS Workshop 2021 Julien Guy Tranchida	Conference Presentation – 2021 Conference Presentation	2021
Spin-lattice Dynamics of Surface vs Core Magnetization in Fe Nanoparticles Applied Physics Letters Gonzalo dos Santos, Robert Meyer, Romina Aparicio, Julien Guy Tranchida, Eduardo Bringa, Herbert Urbassek https://www.osti.gov/search/identifier:1817708	Journal Article – 2021 Journal Article	2021
LAMMPS, a brief overview and examples of modifications Virtual Lab. Seminar presentation Julien Guy Tranchida	Presentation (non-conference) – 2021 Presentation (non-conference)	2021
Data-Driven Magneto-Elastic Predictions with Scalable Classical Spin-Lattice Dynamics Invited seminar presentation at UCLA Julien Guy Tranchida, Svetoslav Valeriev Nikolov, Mitchell Wood, Attila Cangi, Michael P. Desjarlais, Aidan P. Thompson https://www.osti.gov/search/identifier:1870099	Presentation (non-conference) – 2021 Presentation (non-conference)	2021
First-principles and classical computational study of W/ZrC interfaces Plasma Facing Materials and Components for Fusion Applications Julien Guy Tranchida, Mary Alice Cusentino, Mitchell Wood, Aidan P. Thompson https://www.osti.gov/search/identifier:1866898	Conference Poster – 2021 Conference Poster	2021
Spin-lattice model for cubic crystals Physical Review B Pablo Nieves, Julien Guy Tranchida, S. Arapan, Legut D. https://www.osti.gov/search/identifier:1778073	Journal Article – 2021 Journal Article	2021
W/ZrC interface stability and interaction with plasma species from first-principles and classical computational studies Icfrm-20 Julien Guy Tranchida	Abstract – 2021 Abstract	2021
Multi-fidelity ML/UQ and Bayesian Optimization for Materials Design: Application to Ternary Random Alloys TMS 2021 Annual Meeting & Exhibition (TMS2021) Anh Tran, Julien Guy Tranchida, Timothy Michael Wildey, Aidan P. Thompson https://www.osti.gov/search/identifier:1853874	Conference Poster – 2021 Conference Poster	2021
Towards Predictive Plasma Science and Engineering through Revolutionary Multi-Scale Algorithms and Models, Final Report George Russell Laity, Allen C. Robinson, Michael E. Cuneo, Mary Kathleen Alam, Kristian Beckwith, Nichelle Lee Bennett, Matthew Tyler Bettencourt, Stephen D Bond, Kyle Cochrane, Louise Criscenti, Eric Christopher Cyr, Karen June De Zetter, Richard R. Drake, Evstati Georgiev Evstatiev, Andrew Steven Fierro, Thomas Anthony Gardiner, Forrest Glines, Ronald S. Goeke, Nathaniel Donald Hamlin, Russell Hooper, Jason Koski, James Matthew Doyle Lane, Steven Robert Larson, Kevin Leung, Duncan Alisdair Odum McGregor, Philip Rocco Miller, Sean Miller, Susan Jasmin Ossareh, Edward Geoffrey Phillips, Sean Simpson, David Sirajuddin, Thomas M. Smith, Matthew Scot Swan, Aidan P. Thompson, Julien Guy Tranchida, Asa Jal Bortz-Johnson, Dale Robert Welch, Alex Moore Russell, Eric Duarte Watson, David Vincent Rose, Ryan D McBride https://www.osti.gov/search/identifier:1813907	SAND Report – 2021 SAND Report	2021
Size- and temperature-dependent magnetization of iron nanoclusters Physical Review B Julien Guy Tranchida, Gonzalo Dos Santos, Romina Aparicio, D Linares, E.N. Miranda, Gustavo M. Pastor, Eduardo M. Bringa https://www.osti.gov/search/identifier:1738927	Journal Article – 2020 Journal Article	2020
Leveraging SNAP Potentials for Accurate Magneto-Elastic Simulations of Materials New Mexico Machine Learning Symposium (NMMLS) Julien Guy Tranchida	Abstract – 2020 Abstract	2020
Electric and antiferromagnetic chiral textures at multiferroic domain walls Nature Materials Julien Guy Tranchida, J-Y Chaleau, T Chirac, S Fusil, Vincent Garcia, W Akhtar, P Thibaudeau, I Gross, C Blouzon, A Finco, M Bibes, B Dkhil, Khalyavin D.D., P Manuel, V Jacques, N Jaouen, M Viret	Journal Article – 2020 Journal Article	2020
Enhance coherence time in intensely driven quantum systems Wei Pan, John L. Reno, Julien Guy Tranchida https://www.osti.gov/search/identifier:1670245	SAND Report – 2020 SAND Report	2020
Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: Application to ternary random alloys The Journal of Chemical Physics Julien Guy Tranchida, Anh Tran, Timothy Michael Wildey, Aidan P. Thompson	Journal Article – 2020 Journal Article	2020
Atomistic simulation of phonon and magnon thermal transport across the ferromagnetic-paramagnetic transition Physical Review B Julien Guy Tranchida, Yanguang Zhou, Yijun Ge, Jayathi Murthy, Timothy Fisher	Journal Article – 2020 Journal Article	2020
Efficient Optimization Method for Finding Minimum Energy Paths of Magnetic Transitions Journal of PhysicsCondensed Matter Julien Guy Tranchida, Aleksei Ivanov, D Dagbartsson, Valery Uzdin, Hannes Jonsson https://www.osti.gov/search/identifier:1650179	Journal Article – 2020 Journal Article	2020
Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: Application to ternary random alloys Sandia MLDL Workshop Julien Guy Tranchida, Aidan P. Thompson, Anh Tran, Timothy Michael Wildey	Abstract – 2020 Abstract	2020
Multi-fidelity machine-learning with uncertainty quantification for materials design: Application to ternary random alloys arXiv Anh Tran, Timothy Michael Wildey, Julien Guy Tranchida, Aidan P. Thompson https://www.osti.gov/search/identifier:1670182	Journal Article – 2020 Journal Article	2020
Improving the accuracy of spin-lattice simulations with machine-learning interatomic potentials APS March Meeting 2020 Aidan P. Thompson, Mitchell Wood, Attila Cangi, Michael P. Desjarlais, Julien Guy Tranchida https://www.osti.gov/search/identifier:1778150	Conference Paper – 2020 Conference Paper	2020
Improving the accuracy of spin-lattice calculations with machine-learning interatomic potentials MRS meeting 2019 Julien Guy Tranchida, Attila Cangi, Mitchell Wood, Aidan P. Thompson, Michael P. Desjarlais	Abstract – 2020 Abstract	2020
Improving the accuracy of spin-lattice calculations with machine-learned interatomic potentials Mrs 2019 Julien Guy Tranchida, Attila Cangi, Mitchell Wood, Aidan P. Thompson, Michael P. Desjarlais https://www.osti.gov/search/identifier:1763622	Conference Paper – 2020 Conference Paper	2020
From First-Principles toward atomistic understanding of mechanical properties in High-Entropy Alloys 2019 MRS Fall Meeting and Exhibit Peter Andrew Schultz, Julien Guy Tranchida, Michael E. Chandross, Aidan P. Thompson https://www.osti.gov/search/identifier:1643633	Conference Paper – 2019 Conference Paper	2019
Quantum-accurate multiscale modeling of ramp compressions and magneto-elastic phase transitions in iron APS March Meeting 2020 Julien Guy Tranchida, Mitchell Wood, Attila Cangi, Aidan P. Thompson, Michael P. Desjarlais	Abstract – 2019 Abstract	2019
Scale Bridging with SNAP Machine-Learning Interatomic Potentials Sandia LDRD Machine Learning R&D Workshop Aidan P. Thompson, Mitchell Wood, Mary Alice Cusentino, Julien Guy Tranchida https://www.osti.gov/search/identifier:1641919	Conference Paper – 2019 Conference Paper	2019
Document Title	Type	Year

Results 1–25 of 47

Publications

Magneto-elastic predictions with LAMMPS and the SPIN package

Large-scale theroretical predictions of pressure and temperature ramps in iron

Spin-lattice Dynamics of Surface vs Core Magnetization in Fe Nanoparticles

LAMMPS, a brief overview and examples of modifications

Data-Driven Magneto-Elastic Predictions with Scalable Classical Spin-Lattice Dynamics

First-principles and classical computational study of W/ZrC interfaces

Spin-lattice model for cubic crystals

W/ZrC interface stability and interaction with plasma species from first-principles and classical computational studies

Multi-fidelity ML/UQ and Bayesian Optimization for Materials Design: Application to Ternary Random Alloys

Towards Predictive Plasma Science and Engineering through Revolutionary Multi-Scale Algorithms and Models, Final Report

Size- and temperature-dependent magnetization of iron nanoclusters

Leveraging SNAP Potentials for Accurate Magneto-Elastic Simulations of Materials

Electric and antiferromagnetic chiral textures at multiferroic domain walls

Enhance coherence time in intensely driven quantum systems

Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: Application to ternary random alloys

Atomistic simulation of phonon and magnon thermal transport across the ferromagnetic-paramagnetic transition

Efficient Optimization Method for Finding Minimum Energy Paths of Magnetic Transitions

Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: Application to ternary random alloys

Multi-fidelity machine-learning with uncertainty quantification for materials design: Application to ternary random alloys

Improving the accuracy of spin-lattice simulations with machine-learning interatomic potentials

Improving the accuracy of spin-lattice calculations with machine-learning interatomic potentials

Improving the accuracy of spin-lattice calculations with machine-learned interatomic potentials

From First-Principles toward atomistic understanding of mechanical properties in High-Entropy Alloys

Quantum-accurate multiscale modeling of ramp compressions and magneto-elastic phase transitions in iron

Scale Bridging with SNAP Machine-Learning Interatomic Potentials