From owner-chemistry@ccl.net Wed Jun 10 04:07:00 2020 From: "Marcel Swart marcel.swart .. gmail.com" To: CCL Subject: CCL: DFT-Poll 2020 Message-Id: <-54090-200610040546-19330-/COChbspKCb8gIdBYLCb2Q%x%server.ccl.net> X-Original-From: "Marcel Swart" Date: Wed, 10 Jun 2020 04:05:45 -0400 Sent to CCL by: "Marcel Swart" [marcel.swart##gmail.com] As usual, the annual DFT Popularity Poll has been opened on June 1 and will stay open until October 1: http://www.marcelswart.eu/dft-poll/ or for the poll: http://www.bit.ly/DFT2020 We are now fully back in old-style polling, with only the first and second division of density functional approximations to be voted on. Last year we had a record number of participants, and also this year many people have already voted. MS, M. Bickelhaupt, M. Duran PS. 2019 results are also present on www.marcelswart.eu/dft-poll/ and in the news item you can find a short summary after 10 years of polling. From owner-chemistry@ccl.net Wed Jun 10 16:01:01 2020 From: "Franck Chevalier f.chevalier_._acellera.com" To: CCL Subject: CCL: ACEMD & OPENMM UNITE TO TACKLE NEW CHALLENGES IN MOLECULAR SIMULATION Message-Id: <-54091-200610132654-18023-sw85m+ovC+QwNvxzKjULRQ++server.ccl.net> X-Original-From: "Franck Chevalier" Date: Wed, 10 Jun 2020 13:26:52 -0400 Sent to CCL by: "Franck Chevalier" [f.chevalier..acellera.com] Acellera is joining the OpenMM development team, together with lead OpenMM developer Peter Eastman, Tom Markland from Stanford University (whose lab focuses on QM/MM and machine learning for quantum chemistry), John Chodera from the Sloan Kettering Institute (whose lab focuses on free energy calculations), thanks to a one-year seed grant from the Chan Zuckerberg Initiative (CZI). This grant aims to support the continued development of OpenMM to better serve its broad biomolecular modeling community, and its extension to integrate machine learning to enable genomic-scale biomolecular modeling, simulation, and prediction. Read the full story at https://www.acellera.com/md-simulation-blog-news/