Gs Jung Research Staff Contact JUNGG@ORNL.GOV All Publications Enhancing High-Fidelity Neural Network Potentials through Low-Fidelity Sampling Atomic-Scale Dynamic Mechanisms of Embedded MoS2 Wires Molecular Origin of Viscoelasticity and Influence of Methylation in Mesophase Pitch Effective direct steam regeneration of bis-iminoguanidine solid sorbent used for carbon dioxide capture Large-scale atomistic model construction of subbituminous and bituminous coals for solvent extraction simulations with reactive molecular dynamics On the role of methyl groups in the molecular architectures of mesophase pitches Active learning of neural network potentials for rare events... Tailoring Chemical Absorption-Precipitation to Lower the Regeneration Energy of a CO2 Capture Solvent... Predicting Power Outage During Extreme Weather with EAGLE-I and NWS Datasets Artificial neural network potentials for mechanics and fracture dynamics of two-dimensional crystals ** Low-thermal-budget synthesis of monolayer molybdenum disulfide for silicon back-end-of-line integration on a 200 mm platform Graph neural networks predict energetic and mechanical properties for models of solid solution metal alloy phases Atomic-Scale Insights into the Lateral and Vertical Epitaxial Growth in Two-Dimensional Pd2Se3–MoS2 Heterostructures Atomically sharp jagged edges of chemical vapor deposition-grown WS2 for electrocatalysis Dynamic aspects of graphene deformation and fracture from approximate density functional theory Atomistic Mechanics of Torn Back Folded Edges of Triangular Voids in Monolayer WS 2 Molecular origin of viscoelasticity in mineralized collagen fibrils Strain-Induced Growth of Twisted Bilayers during the Coalescence of Monolayer MoS 2 Crystals Chirality-Dependent Second Harmonic Generation of MoS 2 Nanoscroll with Enhanced Efficiency Perspectives on three-dimensional printing of self-assembling materials and structures Accumulation of collagen molecular unfolding is the mechanism of cyclic fatigue damage and failure in collagenous tissues... Key Links Curriculum Vitae Organizations Computing and Computational Sciences Directorate Computational Sciences and Engineering Division Advanced Computing Methods for Physical Sciences Section Computational Chemistry and Nanomaterials Sciences Group
