most citedTowards Improved Quantum Machine Learning for Molecular Force Fields

2 citations · 2 across the 1 of their papers we have counts for

collaborators

2 papers

physics.chem-ph2025★ 2 cited

Towards Improved Quantum Machine Learning for Molecular Force Fields

Yannick Couzinié, Shunsuke Daimon, Hirofumi Nishi +3

This study explores the use of equivariant quantum neural networks (QNN) for generating molecular force fields, focusing on the rMD17 dataset. We consider a QNN architecture based…

quant-ph2023

First-quantized adiabatic time evolution for the ground state of a many-electron system and the optimal nuclear configuration

Yusuke Nishiya, Hirofumi Nishi, Yannick Couzinié +2

We propose a novel adiabatic time evolution (ATE) method for obtaining the ground state of a quantum many-electron system on a quantum circuit based on first quantization. As a str…