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GROMACS

GROMACS is a molecular dynamics application designed to simulate Newtonian equations of motion for systems with hundreds to millions of particles.

LAMMPS

Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is a software application designed for molecular dynamics simulations.

NAMD

Nanoscale Molecular Dynamics (NAMD) is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.

To explore the performance improvements of some key HPC applications, visit theNVIDIA Developer Zone.To get started with these GPU-accelerated applications, visitNVIDIA NGC

Develop GPU-Accelerated Applications withNVIDIA HPC SDK

A Comprehensive Suite of Compilers, Libraries, and Tools for HPC

TheNVIDIA HPC SDK includes the proven compilers, libraries, and software tools essential to maximizing developer productivity and the performance and portability of HPC modeling and simulation applications.

Widely used HPC applications, including VASP, Gaussian, ANSYS Fluent, GROMACS, and NAMD, use CUDA®, OpenACC®, and GPU-accelerated math libraries to deliver breakthrough performance. You can use these same software tools to accelerate your applications with NVIDIA GPUs and achieve dramatic speedups and power efficiency.

nvidia-hpc-sdk-1920x1080

Develop AI-Powered Weather Analysis With OmniverseBlueprint for Earth-2 Weather Analytics

The NVIDIA Omniverse™ Blueprint for Earth-2 Weather Analytics is a reference architecture, meant for independent software vendors and their application developers to build AI-augmented simulation and visualization pipelines for the climate and weather domain. This reference can significantly accelerate the development of climate tech applications for weather and climate analysis, planning, and risk mitigation and for developing digital twins of weather and climate.

NVIDIA Omniverse Blueprint for Earth-2 Weather Analytics

NVIDIA Blackwell Accelerates Computer-Aided EngineeringSoftware Ecosystem

Leading computer-aided engineering (CAE) software vendors—including Ansys, Altair, Cadence, Siemens, and Synopsys—are accelerating their design tools to run faster with theNVIDIA Blackwellplatform. 

With such accelerated software, along withNVIDIA CUDA-X™ libraries and blueprints to further optimize performance, industries such as automotive, aerospace, energy, manufacturing, and life sciences can significantly reduce product development.

Digital Twins for Fluid Simulation

Cadence Fidelity

Accelerated Simulation and Modelingin Action

Simulation and modeling have diverse use cases, which can be used in a variety of different industries such as healthcare, finance, manufacturing, and earth sciences. 

Weather forecasting and climate modeling

Predict Weather Patterns

Explore how simulation is used in weather forecasting and climate modeling—including how automated feature detection can identify threats from severe weather, solar storms, and near-earth objects and how accelerating models and data assimilation techniques can produce more accurate predictions.

Simulate COVID-19

Simulate COVID-19

Learn how simulation in research can help address many problems, including the COVID-19 pandemic. Combining the compute power of 200,000+ NVIDIA GPUs and additional computing resources contributed by volunteers, the Folding@Home project has performed an exascale simulation of the spike protein.

Accelerate Financial Models

Accelerate Financial Models

Take a dive into what HPC modeling can achieve outside of scientific research. It’s also used in the financial sector to do modeling and analysis. As financial models grow in size and sophistication, data scientists and developers are increasingly turning to HPC to accelerate their algorithms and simulations.

CPU Based Solutions

Speed Up Engineering Simulations

Learn how simulation and modeling enables reservoir engineers to develop more accurate, robust, and predictive models faster, using fewer hardware resources than CPU-based solutions.

Learn more about simulation through session and demo videos, or get started with the NVIDIA Developer Blog.

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