Title: Non-Linear Wave Function Collapse Algorithms for Molecular Dynamics

Jincheng Zhang

Published Sep 5, 2026• 0 citations

Abstract

Molecular dynamics (MD) simulations are instrumental in studying the behavior of complex molecules and materials, but their computational cost can be prohibitive for simulating large systems. This paper introduces a novel algorithm for non-linear wave function collapse (NWWC) in molecular dynamics simulations, designed to enhance the accuracy and speed of simulations of complex molecules. The core mechanism centers around a dynamically adjusting collapse rate, guided by observed molecular motion, effectively mitigating the effects of thermal noise and leading to improved simulation results. The algorithm addresses the limitations of traditional MD methods by providing a more robust and efficient approach to exploring molecular systems. This work explores the potential of adapting the collapse rate to the dynamics of the system, resulting in more accurate and faster simulations of complex molecules.

DOI: 10.5281/zenodo.22315480

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