127 citations · 133 across the 5 of their papers we have counts for
5 papers
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…
Acceleration without Disruption: DFT Software as a Service
Fusong Ju, Xinran Wei, Lin Huang +13
Density functional theory (DFT) has been a cornerstone in computational chemistry, physics, and materials science for decades, benefiting from advancements in computational power a…
XaaS: Acceleration as a Service to Enable Productive High-Performance Cloud Computing
Torsten Hoefler, Marcin Copik, Pete Beckman +8
HPC and Cloud have evolved independently, specializing their innovations into performance or productivity. Acceleration as a Service (XaaS) is a recipe to empower both fields with…
Accelerating computational materials discovery with artificial intelligence and cloud high-performance computing: from large-scale screening to experimental validation
Chi Chen, Dan Thien Nguyen, Shannon J. Lee +8
High-throughput computational materials discovery has promised significant acceleration of the design and discovery of new materials for many years. Despite a surge in interest and…
Evaluation of synthetic and experimental training data in supervised machine learning applied to charge state detection of quantum dots
Jana Darulova, Matthias Troyer, Maja C. Cassidy
Automated tuning of gate-defined quantum dots is a requirement for large scale semiconductor based qubit initialisation. An essential step of these tuning procedures is charge stat…