In this blog post, we cover how to run GROMACS – a popular open source designed for simulations of proteins, lipids, and nucleic acids – cost effectively by leveraging EC2 Spot Instances within AWS ParallelCluster. We also show how to …
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Organizations such as Amazon Prime Air and Joby Aviation use Simcenter STAR-CCM+ for running CFD simulations on AWS so they can reduce product manufacturing cycles and achieve faster times to market. In this post today, we describe the …
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OpenFOAM is one the most widely used Computational Fluid Dynamics (CFD) packages and helps companies in a broad range of sectors (automotive, aerospace, energy, and life-sciences) to conduct research and design new products. In this post, …
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Introduction Monte Carlo methods are a class of methods based on the idea of sampling to study mathematical problems for which analytical solutions may be unavailable. The basic idea is to create samples through repeated simulations that …
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This blog post shows you how to deploy an HPC cluster for Windows workloads. We have provided an AWS CloudFormation template that automates the creation process to deploy an HPC Pack 2019 Windows cluster. This will help you get started …
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We have been working with a team of researchers at the Max Planck Institute, helping them adopt the AWS cloud for drug research applications in the pharmaceutical industry. In this post, we’ll focus on how the team at Max Planck obtained …
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This post summarizes a recent research paper from the AWS Center for Quantum Computing. The paper provides an improved analysis of quantum simulation of chemical and material systems. This research shows that such simulations can be …
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In this blog post, we’ll describe an ensemble run of 20K simulations to accelerate the drug discovery process, while also optimizing for run time and cost. We used two popular open-source packages — GROMACS, which does a molecular dynamics …
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