Date: September 12th-13th, 2017 Organizers: Prof. T Daniel Crawford (MolSSI), Dr. Daniel G. A. Smith (MolSSI), Dr. Aaron Virshup (Autodesk), Merry Wang (Autodesk), Dr. John Chodera (MSKCC) Location: Autodesk Gallery, San Francisco, California Distributed Workflows for Biomolecular Simulations is an invite-only, innovation-driven workshop hosted by MolSSI and Autodesk Life Sciences for academic and industry experts […]
Dates: July 17-21, 2017 Organizers: Prof. Christine Isborn (UC Merced), Neepa Maitra (Hunter College), Xiaosong Li (U. Washington), André Schleife (U. Illinois) Location: Telluride, Colorado MolSSI sponsored this Telluride Science Center school and workshop, focused on developments and applications of frequency-dependent and time-dependent electronic structure theories for calculating excited states and simulating electron dynamics. A […]
The 2017 MolSSI Software Summer School will be held July 24-August 2 at Virginia Tech in Blacksburg, Virginia. The School will focus on first- and second-year graduate students in the computational molecular sciences (bio- and macro-molecular simulation, quantum chemistry, and materials science) whose research requires a firm foundation in software engineering and programming. The School’s […]
Organizers: Prof. Michael Shirts (University of Colorado Boulder) and Prof. David Mobley (University of California, Irvine) Location: NIST Gaithersburg MolSSI sponsored a workshop, August 24-25, 2017, focused around improving the way that molecular software is used, which can be equally important as improving the software itself. Molecular simulations could have an even larger impact than they […]
The MolSSI sponsored a workshop at Virginia Tech, June 5-7, 2017, to focus on software interoperability issues in molecular sciences codes. The goals of the workshop were to engage community software developers to discuss interoperability issues within MM codes and QM codes and between MM and QM codes, to discuss previously identified use cases, to identify […]
The overwhelming majority of chemical processes happens in complex environments, such as liquid phases, biological systems or heterogeneous material matrices. Enzymatic reactions, the transport across a cell membrane, light harvesting in plants and solar cells, the uptake of pollutants by atmospheric aerosols are but a few examples of systems representing recognized societal challenges such as […]
The vision of this workshop was to explore mechanisms to build common infrastructure that can help the community broadly, allowing for the rapid development of new methods as well as rapid dissemination into a broad range of community codes. There are already many successful codes and packages for driving simulation for Molecular Dynamics, Monte Carlo, […]
C&E News covered the MolSSI’s Launch Event in San Francisco on April 4th!
The MolSSI Board of Directors is pleased to announce that the Science and Software Advisory Board has chosen the winners of the 2017 Phase-I Software Fellowships! The competition was incredibly stiff, with more than 50 impressive applications. The recipients will receive six months of support and are eligible for the Phase-II competition later this year.
The MolSSI sponsored a workshop in Asilomar, California, May 7-10, 2017, focused on the core components of quantum chemistry software packages. The goals of the event were to bring together developers working in developing core functionality in electronic structure, to discuss current challenges, to identify common needs and routes for collaborations, and to develop use […]