A new open-source toolkit automates the process of computing molecular properties in the solution phase, clearing new pathways for artificial-intelligence design and discovery in chemistry and beyond. The Journal of Chemical Physics published the free, open-source toolkit developed by the Liu Group.Continue readingNew chemistry toolkit speeds analyses of molecules in solution
Tag: Computational Chemistry
Francesco Evangelista, associate professor of chemistry, has been chosen as the 2020 recipient of the International Academy of Quantum Molecular Sciences medal. The IAQMS is the leading international organization for the development and application of quantum theory for chemistry and chemical physics. This prestigious medal is given annually “to a young member of the scientific community who…Continue readingFrancesco Evangelista awarded 2020 medal by the International Academy of Quantum Molecular Sciences
Nick Stair (Evangelista Group) has been named a 2020 MoISSI Software Investment Fellow. The Molecular Sciences Software Institute serves as a nexus for science, education, and cooperation serving the worldwide community of computational molecular scientists – a broad field including of biomolecular simulation, quantum chemistry, and materials science. Nick’s MolSSI Software Mentor is Jonathan Moussa…Continue readingNick Stair named MolSSI Software Investment Fellow