3 papers
cond-mat.mtrl-sci2026
The Future of Computing for Materials Science Challenges
Phalgun Lolur, Richard P. Padbury, George H. Booth +10
Materials discovery increasingly relies on the coordinated use of theory, computation, experiment, data-driven methods, and emerging quantum technologies, yet the full potential of…
quant-ph2025
Efficient Hamiltonian Simulation: A Utility Scale Perspective for Covalent Inhibitor Reactivity Prediction
Marek Kowalik, Sam Genway, Vedangi Pathak +8
Quantum computing applications in the noisy intermediate-scale quantum (NISQ) era require algorithms that can generate shallower circuits feasible for today's quantum systems. This…
quant-ph2024
Hybrid Quantum Graph Neural Network for Molecular Property Prediction
Michael Vitz, Hamed Mohammadbagherpoor, Samarth Sandeep +3
To accelerate the process of materials design, materials science has increasingly used data driven techniques to extract information from collected data. Specially, machine learnin…