Caltech professor of chemistry Sandeep Sharma and colleagues from IBM and the RIKEN Center for Computational Science in Japan ...

We present a high-throughput, end-to-end pipeline for organic crystal structure prediction (CSP)─the problem of identifying the stable crystal structures that will form from a given molecule based ...

java optimization genetic-algorithm scheduling parallel-computing multithreading mutation local-search permutations search-algorithm simulated-annealing adaptive hill-climbing evolutionary ... To ...