10 citations · 11 across the 5 of their papers we have counts for
5 papers
Propagating sparsely supported states with time-dependent neural quantum states
Lexin Ding, Markus Reiher
Neural quantum states (NQSs) have emerged as a powerful ansatz for quantum dynamics. Their high entanglement capacity promises to overcome the entanglement barrier. However, existi…
Neural Quantum States Based on Selected Configurations
Marco Julian Solanki, Lexin Ding, Markus Reiher
Neural quantum states (NQS) provide a flexible and highly expressive parameterization of wave functions for strongly correlated problems in quantum chemistry. Despite rapid advance…
Modal Backflow Neural Quantum States for Anharmonic Vibrational Calculations
Lexin Ding, Markus Reiher
Neural quantum states (NQS) are a promising ansatz for solving many-body quantum problems due to their inherent expressiveness. Yet, this expressiveness can only be harnessed effic…
Molecular Similarity in Machine Learning of Energies in Chemical Reaction Networks
Stefan Gugler, Markus Reiher
Machine learning has emerged as a powerful tool for predicting molecular properties in chemical reaction networks with reduced computational cost. However, accurately predicting en…
Automated Microsolvation for Minimum Energy Path Construction in Solution
Paul L. Türtscher, Markus Reiher
Describing chemical reactions in solution on a molecular level is a challenging task due to the high mobility of weakly interacting solvent molecules which requires configurational…