2 papers
physics.chem-ph2026
Graph-Theoretic Neural Network Fragmentation with Covariant Direct Molecular Force Learning: Enabling Coupled-Cluster Accuracy AIMD for Fluxional Systems
Xiao Zhu, Srinivasan S. Iyengar
Accurate ab initio molecular dynamics (AIMD) simulations of complex, fluxional chemical systems are severely limited by the high computational scaling of correlated electronic stru…
quant-ph2026
Half the Interference, Most of the Answer: Approximate Quantum Simulation via Path-Sum Pruning
Sinan Pehlivanoglu, Srinivasan Iyengar, Amr Sabry
Classical simulation of quantum circuits is expensive for two distinct reasons. The obvious one is state-space size: an n-qubit system requires exponentially many amplitudes. The l…