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A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.

168,742 papers · 148 categories

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21 results for wavefunctions

New model predicts molecular wavefunctions and densities with unprecedented accuracy.

problem Challenging task of predicting wavefunctions due to molecular rotations.
method Introduces SE(3)-equivariant operations for deep learning.
result Achieves speedups and error reductions over ab initio methods.

Enhanced VMC methods improve neural wavefunction training.

problem Efficiently training neural wavefunctions in VMC to converge to energy minimum.
method Rayleigh-Gauss-Newton (RGN) optimization and parallel tempering sampling.
result RGN method achieves superlinear convergence with reduced computational cost.

We construct from first principles the operator 'A-hat' that annihilates the partition functions (or wavefunctions) of three-dimensional Chern-Simons theory with gauge groups SU(2), SL(2,R), or SL(2,C) on a knot complement M. The operator 'A-hat' is a quantization of the knot complement's classical A-polynomial A(l,m).…

2011-02-23abs ↗pdf ↗

Deep neural network predicts molecular wave functions in minimal basis.

problem Improving accuracy and efficiency in quantum chemistry calculations.
method Adapted SchNet for Orbitals (SchNOrb) model in quasi-atomic minimal basis.
result Model accurately predicts molecular orbital energies and wavefunctions for large molecules.

We show that holographic renormalization of relativistic gravity in asymptotically Lifshitz spacetimes naturally reproduces the structure of gravity with anisotropic scaling: The holographic counterterms induced near anisotropic infinity take the form of the action for gravity at a Lifshitz point, with the appropriate …

2011-12-23abs ↗pdf ↗

The disbalance of Supply and Demand is typically considered as the driving force of the markets. However, the measurement or estimation of Supply and Demand at price different from the execution price is not possible even after the transaction. An approach in which Supply and Demand are always matched, but the rate $I=…

2016-02-14abs ↗pdf ↗

New dataset abla2 abla^2DFT for drug-like molecules benchmarks neural network potentials.

problem Lack of large, diverse datasets for training neural network potentials in quantum chemistry.
method Developed a new dataset abla2 abla^2DFT containing energies, forces, and molecular properties for drug-like molecules.
result First dataset with relaxation trajectories for drug-like molecules.

In this paper we show how to place Michael Berry's discovery of knotted zeros in the quantum states of hydrogen in the context of general knot theory and in the context of our formulations for quantum knots. Berry gave a time independent wave function for hydrogen, as a map from three space to the complex plane and suc…

2019-04-15abs ↗pdf ↗