3 papers
physics.chem-ph2026
Learning the Kohn-Sham map with neural operators for quasi-linear scaling density functional theory
Danish Khan, Maurice D. Hanisch, Nikolai Argatoff +3
Kohn--Sham density functional theory (DFT) underpins electronic-structure simulations, but repeated orbital diagonalizations lead to cubic scaling, restricting quantum calculations…
cs.LG2025
OrbitAll: A Unified Quantum Mechanical Representation Deep Learning Framework for All Molecular Systems
Beom Seok Kang, Vignesh C. Bhethanabotla, Amin Tavakoli +6
We introduce OrbitAll, a geometry- and physics-informed deep learning framework that encodes any molecular system with arbitrary charges, spins, and environmental effects using ele…
quant-ph2025
Soft information decoding with superconducting qubits
Maurice D. Hanisch, Bence Hetényi, James R. Wootton
Quantum error correction promises a viable path to fault-tolerant computations, enabling exponential error suppression when the device's error rates remain below the protocol's thr…