HPC / Scientific Computing

May 13, 2026

Accelerated X-Ray Analysis for Nanoscale Imaging (XANI) of Novel Materials

A massive-scale X-ray free-electron laser (XFEL) enables tracking structural and electron dynamics in novel systems, including fusion materials, semiconductors,...
11 MIN READ
May 07, 2026

Achieving Peak System and Workload Efficiency on NVIDIA GB200 NVL72 with Slurm Block Scheduling

NVIDIA GB200 NVL72 introduces a fundamentally new way to build GPU clusters by extending NVIDIA NVLink coherence across an entire rack. This design enables...
11 MIN READ
Apr 28, 2026

Scaling Biomolecular Modeling Using Context Parallelism in NVIDIA BioNeMo

For decades, computational biology has operated under a reductionist compromise. To fit complex biological systems into the limited memory of a single GPU,...
9 MIN READ
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Apr 22, 2026

Simplify Sparse Deep Learning with Universal Sparse Tensor in nvmath-python

In a previous post, we introduced the Universal Sparse Tensor (UST), enabling developers to decouple a tensor’s sparsity from its memory layout for greater...
11 MIN READ
Apr 14, 2026

Building Custom Atomistic Simulation Workflows for Chemistry and Materials Science with NVIDIA ALCHEMI Toolkit

For decades, computational chemistry has faced a tug-of-war between accuracy and speed. Ab initio methods like density functional theory (DFT) provide high...
14 MIN READ
Apr 14, 2026

NVIDIA NVbandwidth: Your Essential Tool for Measuring GPU Interconnect and Memory Performance

When you’re writing CUDA applications, one of the most important things you need to focus on to write great code is data transfer performance. This applies to...
8 MIN READ
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Apr 14, 2026

NVIDIA Ising Introduces AI-Powered Workflows to Build Fault-Tolerant Quantum Systems

NVIDIA Ising is the world's first family of open AI models for building quantum processors, launching with two model domains: Ising Calibration and Ising...
9 MIN READ
Apr 09, 2026

Running Large-Scale GPU Workloads on Kubernetes with Slurm

Slurm is an open source cluster management and job scheduling system for Linux. It manages job scheduling for over 65% of TOP500 systems. Most organizations...
9 MIN READ
Apr 09, 2026

Cut Checkpoint Costs with About 30 Lines of Python and NVIDIA nvCOMP

Training LLMs requires periodic checkpoints. These full snapshots of model weights, optimizer states, and gradients are saved to storage so training can resume...
12 MIN READ
Apr 09, 2026

How to Accelerate Protein Structure Prediction at Proteome-Scale

Proteins rarely function in isolation as individual monomers. Most biological processes are governed by proteins interacting with other proteins, forming...
10 MIN READ
Mar 12, 2026

Build Accelerated, Differentiable Computational Physics Code for AI with NVIDIA Warp

Computer-aided engineering (CAE) is shifting from human-driven workflows toward AI-driven ones, including physics foundation models that generalize across...
18 MIN READ
Mar 09, 2026

Enhancing Distributed Inference Performance with the NVIDIA Inference Transfer Library

Deploying large language models (LLMs) requires large-scale distributed inference, which spreads model computation and request handling across many GPUs and...
13 MIN READ
Jan 30, 2026

Establishing a Scalable Sparse Ecosystem with the Universal Sparse Tensor

Sparse tensors are vectors, matrices, and higher-dimensional generalizations with many zeros. They are crucial in various fields such as scientific computing,...
15 MIN READ
Dec 19, 2025

Accelerating AI-Powered Chemistry and Materials Science Simulations with NVIDIA ALCHEMI Toolkit-Ops

Machine learning interatomic potentials (MLIPs) are transforming the landscape of computational chemistry and materials science. MLIPs enable atomistic...
10 MIN READ
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Dec 17, 2025

Real-Time Decoding, Algorithmic GPU Decoders, and AI Inference Enhancements in NVIDIA CUDA-Q QEC

Real-time decoding is crucial to fault-tolerant quantum computers. By enabling decoders to operate with low latency concurrently with a quantum processing unit...
7 MIN READ
Dec 17, 2025

Solving Large-Scale Linear Sparse Problems with NVIDIA cuDSS

Solving large-scale problems in Electronic Design Automation (EDA), Computational Fluid Dynamics (CFD), and advanced optimization workflows has become the norm...
16 MIN READ