Learn how to simulate reality with Python

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Open AI models are evolving faster than ever, but bringing them into native applications can still require model-specific conversion, preprocessing,...

Open AI models are evolving faster than ever, but bringing them into native applications can still require model-specific conversion, preprocessing, post-processing, and runtime code. NVIDIA TensorRT Model Connect open collection of reference implementations helps to address this challenge. TensorRT Model Connect shows you how to run supported models with NVIDIA TensorRT in native C++…

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Atomistic simulation requires three things: knowledge of the science, compute-efficient implementation of simulations, and accessible interfaces to the...

Atomistic simulation requires three things: knowledge of the science, compute-efficient implementation of simulations, and accessible interfaces to the simulation stack. The first remains the researcher’s domain, as no tool substitutes for knowing what to simulate or recognizing a physically meaningful result. NVIDIA ALCHEMI Toolkit, introduced earlier this year, has dramatically reduced the…

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For decades, computational chemistry has faced a tug-of-war between accuracy and speed. Ab initio methods like density functional theory (DFT) provide high...

For decades, computational chemistry has faced a tug-of-war between accuracy and speed. Ab initio methods like density functional theory (DFT) provide high fidelity but are computationally expensive, limiting researchers to systems of a few hundred atoms. Conversely, classical force fields are fast but often lack the chemical accuracy required for complex bond-breaking or transition-state analysis.

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