The extreme computational expense of QMC has traditionally limited its application; however, recent advances in QMCPACK algorithms have optimized performance for excellent scalability on high - performance supercomputers. (h2awsm.org)
«So, particularly in scenarios where you need very accurate solutions, CosmosDG may be a way to get that with less computational expense than we would have had to use with previous methods.» (sciencedaily.com)
The key descriptors can be calculated at reasonable computational expense making broad materials search possible. (h2awsm.org)