Authors acknowledge funding from the EPSRC (grant EP/N010906/1), Jeol UK and DENSsolutions for sponsoring part of this work. HEC-BioSim (EP/R029407/1), PRACE (BSC, Project BCV-2019-3- 0010 and CSCS ProjectS847), CSCS (Project 86), and the Leibniz Supercomputing Center (SuperMUC, Project pr74su) are acknowledged for their allocation of supercomputer time. Acknowledgement for the Spanish Supercomputer Network, RES, for their allocation of HPC resources, project BCV-2020-3-0009 (Tirant UV).
Google Scholar