From owner-chemistry -A_T- ccl.net Wed Apr 16 21:36:00 2014 From: "Jahn Ozdoruk cozdoruk]![nvidia.com" To: CCL Subject: CCL: Join Us for Webinars: GPU-Accelerated TeraChem, AMBER and Folding,,home Message-Id: <-49932-140416185410-28148-G9VG8OwJK7thNRQuQCeacw,,server.ccl.net> X-Original-From: "Jahn Ozdoruk" Date: Wed, 16 Apr 2014 18:54:09 -0400 Sent to CCL by: "Jahn Ozdoruk" [cozdoruk * nvidia.com] I want to invite you to three exciting webinars hosted by leading scientists and researchers in the field of Molecular Dynamics and Quantum Chemistry. Learn how your colleagues are utilizing the computational power of GPUs to accelerate their science, and how you can get started with GPUs as well. 1. Large-scale DFT Calculations on GPUs with TeraChem Date: Apr 22nd, 9am PST Hosted by: Professor Heather Kulik, MIT Register at: http://bit.ly/TeraChem Recent advances in reformulating electronic structure algorithms for GPUs have made DFT calculations on systems comprising up to O(10^3) atoms feasible. Join Professor Heather Kulik to learn about how she leverages TeraChem, a GPU-accelerated quantum chemistry application, to investigate large-scale quantum mechanical features in applications ranging from protein structures to mechanochemical deplolymerization. 2. An Overview of AMBER 14 - Creating the World's Fastest MD Package Date: May 13th, 9am PST Hosted by: Prof. R. Walker, UC San Diego; Prof. A. Roitberg, University of Florida; S. Grand, Amazon Web Services Register at: http://bit.ly/AMBER14 This webinar will provide an overview of new GPU-accelerated features in the recently released AMBER Molecular Dynamics Software package version 14. New features include support for multi- dimensional replica exchange MD and hydrogen mass partitioning. High performance peer-to-peer support and optimizations make version 14 the fastest MD software package on commodity hardware. 3. The Next Steps for Folding+/-home Date: Jun 3rd, 9am PST Hosted by: Professor Vijay Pande, Stanford University Register at: http://bit.ly/FolHome Folding+/-home, a large-scale distributed computing project, has made significant advances in our ability to simulate diseases at the molecular scale with new algorithms and the use of GPUs. Join Professor Vijay Pande in a discussion about the successes of Folding+/-home so far and his plans on new initiatives to greatly enhance what the project can achieve. Try GPUs for Free You can test drive the latest NVIDIA GPUs for free and experience a significant speed up for your science. Either run your own code or try one of the preloaded applications like AMBER, GROMACS, LAMMPS, or NAMD. Register for GPU Test Drive at: http://bit.ly/GPUTestDrive Please forward this invitation to your colleagues who may be interested. Thanks, Jahn C. Ozdoruk Product Mgr, NVIDIA +/-canozdoruk