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This content will become publicly available on December 10, 2025

Title: Quadratic Quantum Variational Monte Carlo
This paper introduces the Quadratic Quantum Variational Monte Carlo (Q2 VMC) algorithm, an innovative algorithm in quantum chemistry that significantly enhances the efficiency and accuracy of solving the Schrödinger equation. Inspired by the discretization of imaginary-time Schrödinger evolution, Q2 VMC employs a novel quadratic update mechanism that integrates seamlessly with neural network-based ansatzes. Our extensive experiments showcase Q2 VMC's superior performance, achieving faster convergence and lower ground state energies in wavefunction optimization across various molecular systems, without additional computational cost. This study not only advances the field of computational quantum chemistry but also highlights the important role of discretized evolution in variational quantum algorithms, offering a scalable and robust framework for future quantum research.  more » « less
Award ID(s):
2505865
PAR ID:
10631809
Author(s) / Creator(s):
;
Publisher / Repository:
Advances in Neural Information Processing Systems 37 (NeurIPS 2024)
Date Published:
ISBN:
9798331314385
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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