Schrödinger Partners with Cycle Computing to Accelerate Materials Simulation

March 28, 2014

NEW YORK, N.Y., March 28 — Schrödinger, LLC and Cycle Computing, LLC announced today a partnership that will allow customers to run Schrödinger’s Materials Science Suite on the Cloud and elastic resources worldwide using Cycle Computing’s CycleCloudä orchestration software. Cloud Computing provides users timely access to scalable computational resources as needed, without prohibitive upfront capital investment in infrastructure. Cycle Computing and Schrödinger have worked together on enabling many customer production workloads in the cloud, including the world’s largest and fastest cloud computing run of more than 156,000 cores called the MegaRun in late 2013.

“Working with Cycle Computing to extend the deployment of our predictive materials science software onto the cloud provides our customers secure, flexible, and timely access to larger-scale simulations,” says Dr. Mathew D. Halls, Schrödinger’s Director of Materials Science, who adds, “these simulations will greatly accelerate our users’ efforts to discover, analyze, and optimize materials.”

While running applications like Schrödinger’s in the cloud is extremely flexible and cost-effective, technical challenges remain, including application onboarding, security, and data management. After working together for several years, Cycle Computing software enables Schrödinger to safely and easily deploy workloads in the cloud, allowing Schrödinger users access to massive-scale cloud resources on demand.

“Schrödinger’s reputation for state-of-the-art computational simulations is unrivaled, and we’re very happy to continue our partnership in delivering real-time solutions to our users,” said Jason Stowe, Cycle Computing’s CEO. “We’re seeing that greater access to computing power through the Cloud is accelerating engineering and scientific efforts like never before, and are excited to work with Schrödinger to bring this advantage to materials science researchers.”

During the record-breaking MegaRun, Professor Mark Thompson at the University of Southern California (USC) completed the largest cloud-computing run in the world, using Schrödinger’s software running on the CycleCloud platform. Professor Thompson calculated the optoelectronic properties for 205,000 materials with potential application in organic photovoltaic devices. The run used a maximum of 156,000+ CPU-cores completing 264 CPU-years of simulation in less than 18 hours.

Visit www.cyclecomputing.com/cloud-ready-schrodinger/ for more information.

About Schrödinger

Schrödinger makes significant investments in R&D, which has led to major advances in the field of computational chemistry; it has achieved breakthroughs in quantum chemistry, molecular modeling, force fields, molecular dynamics, protein structure determination, scoring, and virtual screening. The company’s full product offerings range from general molecular modeling programs to a comprehensive suite of drug design software. Besides the company’s industry-leading drug discovery solutions, Schrödinger is actively developing state-of-the art simulation tools for materials research as well as enterprise software that can be deployed throughout an entire research organization. Schrödinger’s methods development and applications papers have thousands of citations and are often among the most-cited scientific publications. Schrödinger’s science is continually validated internally and by its users worldwide. Founded in 1990, Schrödinger has operations in the United States as well as in Europe, India, and Japan. For more information, please visit http://www.schrodinger.com.

About Cycle Computing

Cycle Computing is the leader in cloud computing and Utility HPC (high performance computing) software, which enables greater access to computing over the cloud. Cycle Computing software CycleServerä, CycleCloudä, and DataManagerä, represent the enabling force that helps users easily connect to greater computing power using public and private clouds. The company believes that utility access to HPC will lead to a new era in accelerated invention and discovery. Since 2005, starting with three initial Fortune 100 clients, Cycle Computing has grown to deploy proven implementations at Fortune 500s, SMBs and government and academic institutions including JP Morgan Chase, Purdue University, Pfizer, The Aerospace Corporation, and Lockheed Martin.

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Source: Cycle Computing

 

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