Jean-Luc Fattebert Research Scientist Contact fattebertj@ornl.gov | 865.241.1115 All Publications A robust solver for wavefunction-based density functional theory calculations*... Toward multiscale simulations of tailored microstructure formation in metal additive manufacturing... Insight into SEI Growth in Li-Ion Batteries using Molecular Dynamics and Accelerated Chemical Reactions... Rapid Solidification in Bulk Ti-Nb Alloys by Single-Track Laser Melting... Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels... A fast, dense Chebyshev solver for electronic structure on GPUs... Thermo4PFM: Facilitating Phase-field simulations of alloys with thermodynamic driving forces An OpenMP GPU-offload implementation of a non-equilibrium solidification cellular automata model for additive manufacturing... Accelerating Battery Simulations by Using High Performance Computing and Opportunities with Machine Learning... Atomistic modeling of LiF microstructure ionic conductivity and its influence on nucleation and plating... ExaAM: Metal additive manufacturing simulation at the fidelity of the microstructure... Enabling particle applications for exascale computing platforms... A mesoscopic digital twin that bridges length and time scales for control of additively manufactured metal microstructures... A Parallel Strategy for Density Functional Theory Computations on Accelerated Nodes... The basic matrix library (BML) for quantum chemistry... Efficient Computational Modeling of Human Ventricular Activation and Its Electrocardiographic Representation: A Sensitivity S... Matching time and spatial scales of rapid solidification: dynamic TEM experiments coupled to CALPHAD-informed phase-field sim... Key Links ORCID Organizations Computing and Computational Sciences Directorate Computational Sciences and Engineering Division Computational Engineering and Energy Science Group Advanced Computing Methods for Physical Sciences Section Multiscale Materials Group
