We are thankful for financial support from the University of California, Irvine, the National Institutes of Health (1R15GM096257-01A1 and 1R01GM108889-01), the National Science Foundation (NSF CAREER Award CHE 1352608), OpenEye Scientific Software, and the UC Multicampus-National Lab Research and Training (UC-NL-CRT) program (award #LFR-17-476732). We’re also grateful for financial support from Sandia, in collaboration with Susan Rempe and Dongmei Ye.
Previous financial support came from the National Science Foundation via the EPSCoR Program and LA-SIGMA, in conjunction with the Louisiana Board of Regents (NSF EPS-1003897); the University of New Orleans Office of Research and Sponsored Programs, and startup funding from the University of New Orleans, as well as from the Louisiana Board of Regents Research Enhancement Subprogram (LEQSF(2010-11)-ENH-TR-45), and the Louisiana Board of Regents Research Competitiveness Subprogram (LEQSF(2010-13)RD-A-18).
We are also grateful for NSF (and NSF MolSSI) support for workshops and other meetings we have organized and/or been involved with, as well as numerous software vendors (OpenEye, Schrodinger, CCG, and others) for support for our series of free energy workshops. Vertex has also been a wonderful host for these and has contributed substantially to their support.
A couple of current group members are supported by the Brazilian Science Without Borders program, administered by LASPAU, with some additional support from UCI and/or our grants. Other group members are NSF Graduate Fellows or are/have been supported by the NSF Molecular Sciences Software Sustainability Institute. We also have had a DOE Computational Sciences Graduate Fellowship recipient in the group. Past group members were supported by the National Computational Science Institute (via an undergraduate fellowship) and the Louisiana Optical Network Initiative graduate fellowship, as well as the Louisiana Board of Regents and the University of New Orleans.
Computer Time and Other Resources
We are thankful to NSF CHE-0840513 for support of the UCI GreenPlanet computer cluster. We also use the HPC cluster in UCI and the TSCC cluster supported by San Diego Supercomputing Centre. Previous computational support includes the Loiuisiana Optical Network Initiative (and the Louisiana Board of Regents, LEQSF(2007-12)-ENH-PKSFI-PRS-01) for numerous grants of computer time, as well as to the NSF XSEDE program for grants to the Mobley lab and to co-PIs. Prior support also came from NSF Teragrid.