2 papers
cond-mat.soft2026
Sequential replica exchange with solute tempering for atomistic modeling of supramolecular polymer structures
Hadi H. Arefi, Takeshi Yamamoto
Predicting detailed atomistic structures of self-assembling systems remains a challenge for all-atom molecular dynamics simulations. Replica exchange with solute tempering (REST) h…
quant-ph2026
Graph Neural Networks for Fast Operator Selection in Adaptive VQE
Javad Vahedi, Hadi H. Arefi
Adaptive variational quantum algorithms like ADAPT-VQE construct tailored ansätze by iteratively selecting operators from a pool using gradient-based criteria. While this avoids o…