3 papers
physics.chem-ph2026
Accurate and scalable exchange-correlation with deep learning
Giulia Luise, Chin-Wei Huang, Thijs Vogels +25
Density Functional Theory (DFT) underpins much of modern computational chemistry and materials science. Yet, the reliability of DFT-derived predictions of experimentally measurable…
quant-ph2026
QDK/Chemistry: A Modular Toolkit for Quantum Chemistry Applications
Nathan A. Baker, Brian Bilodeau, Chi Chen +23
We present QDK/Chemistry, a software toolkit for quantum chemistry workflows targeting quantum computers. The toolkit addresses a key challenge in the field: while quantum algorith…
quant-ph2025
Quantum Arithmetic Algorithms: Implementation, Resource Estimation, and Comparison
Dmytro Fedoriaka, Brian Goldsmith, Yingrong Chen
As quantum computing technology advances, the need for optimized arithmetic circuits continues to grow. This paper presents the implementation and resource estimation of a library…