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Prathami Divakar Kamath

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#small language model Preprint Aug 2026

uMOF: A Universal Database, Benchmark, and Machine Learning Interatomic Potentials for Metal-Organic Frameworks

Foundation machine learning interatomic potentials (MLIPs) deliver near-ab-initio accuracy at a fraction of the computational cost, yet their promise for Metal-organic Frameworks (MOFs) remains largely unrealized as large unit cells make first-principles training data expensive to generate, fine-tuned models are scarce...

T. J. Inizan, Prathami Divakar Kamath, Alin M. Elena et al. · 0 citations

Preprint Jul 2026

Data-driven Design of Metal-Organic Frameworks with Tunable Negative Thermal Expansion

Materials with negative thermal expansion (NTE) are essential for applications requiring precise control of thermal expansion. Owing to their exceptional chemical tunability, flexible architectures, and low-energy lattice vibrations, metal-organic frameworks (MOFs) represent a rich platform for exploring NTE. However,...

Prathami Divakar Kamath, F. Tavani, A. Elena et al. · 1 citation