Harnessing Cloud Architecture for Crystal Structure Prediction Calculations
Harnessing Cloud Architecture for Crystal Structure Prediction Calculations is a scholarly work, published in 2018 in ''Crystal Growth & Design''. The main subjects of the publication include metabolomics, crystal structure, scheduling, drug design, computer science, lattice energy, computational science, distributed computing, cloud computing, lattice, materials informatics industry, Crystal structure prediction, and algorithm. The authors present a novel cloud-computing crystal structure prediction (CSP) platform with the capability of scheduling hundreds of thousands CPU cores and integrating cutting-edge computational chemistry algorithms.