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cond-mat.mtrl-sci2026
Agent-E2MD: Autonomous Translation of Interatomic Potential Equations into Physically Validated Pair Styles for Molecular Dynamics in LAMMPS
Bilvin Varughese, Orcun Yildiz, Aditya Koneru +3
Interatomic potentials underpin MD and govern predictive atomistic-model fidelity for metals, semiconductors, oxides, liquids, and reactive systems. A potential has limited practic…
cond-mat.mtrl-sci2026
Symbolic Ensemble Learning Enables Discovery of Fast Accurate Physics-Based Interatomic Potentials
Bilvin Varughese, Aditya Koneru, Adil Muhammad +6
Machine learning has transformed materials simulation by delivering force fields with ab initio accuracy, yet bridging the gap between high-dimensional regression and physical inte…
cond-mat.mtrl-sci2026
Field-Driven Hybrid Filament Formation Governs Switching in Ta-HfO-Pt Memristors
Ashutosh Krishna Amaram, Aditya Koneru, Subramanian KRS Sankaranarayanan
Memristive devices have gained significant attention for their potential in next-generation non-volatile memory and neuromorphic computing architectures. Among emerging candidates,…