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Sorting Out Quantum Monte Carlo
Molecular modeling at the quantum level requires choosing a parameterization of the wavefunction that both respects the required particle symmetries, and is scalable to systems of many particles.
Towards equilibrium molecular conformation generation with GFlowNets
Sampling diverse, thermodynamically feasible molecular conformations plays a crucial role in predicting properties of a molecule.
Waveflow: Enforcing boundary conditions in smooth normalizing flows with application to fermionic wave functions
In this paper, we introduce four main novelties: First, we present a new way of handling the topology problem of normalizing flows.
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