Autoregressive neural-network wavefunctions for ab initio quantum chemistry
Thomas D. Barrett, Aleksei Malyshev, A. I. Lvovsky
Topics & Concepts
AnsatzWave functionQuantumArtificial neural networkElectronic structureStatistical physicsComputer scienceQuantum Monte CarloPhysicsQuantum mechanicsArtificial intelligenceMathematicsMonte Carlo methodStatisticsQuantum many-body systemsMachine Learning in Materials ScienceSpectroscopy and Quantum Chemical Studies