3 papers
quant-ph2026
Prior-Informed Adaptive Shifts for Sequential Minimal Optimization in Variational Quantum Eigensolvers
Frederik Stalschus, Samuele Pedrielli, Stefan Kühn +3
Sequential minimal optimization methods, such as the Rotosolve and the Nakanishi-Fujii-Todo algorithm (NFT), are widely used for Variational Quantum Eigensolvers (VQEs). These meth…
quant-ph2026
Bias Analysis and Regularization of Sequential Minimal Optimization in Variational Quantum Eigensolvers
Samuele Pedrielli, Frederik Stalschus, Stefan Kühn +3
The Nakanishi Fujii Todo (NFT) algorithm, also known as Rotosolve, implements Sequential Minimal Optimization for Variational Quantum Eigensolvers (SMO-VQE) by exploiting the trigo…
physics.comp-ph2018
SchNetPack: A Deep Learning Toolbox For Atomistic Systems
K. T. Schütt, P. Kessel, M. Gastegger +3
SchNetPack is a toolbox for the development and application of deep neural networks to the prediction of potential energy surfaces and other quantum-chemical properties of molecule…