HPC / Scientific Computing

Jul 13, 2026

NVIDIA Ising Decoding Cuts Color Code Logical Error Rates by Over 300X

Useful quantum computers will require fault tolerant logical operations. Researchers are actively exploring many different quantum error correction (QEC) codes...
6 MIN READ
Jul 10, 2026

Accelerating End-to-End Co-Folding Performance with NVIDIA BioNeMo Agent Toolkit

Biomolecular structure prediction and co-folding with models like OpenFold3 are now mainstream, large-scale workloads powering drug discovery and protein...
9 MIN READ
Jul 09, 2026

A Practical Guide to GPU-Initiated Communication for Molecular Dynamics at Scale

Molecular dynamics (MD) simulations are among the most demanding workloads in computational science. Using them, researchers can observe atomic behavior in...
21 MIN READ
Jun 23, 2026

Maximize AI Factory Energy Efficiency Through Full-Stack Inference and Training Optimizations

Power can account for 40% of the operating expenses (OpEx) to run an AI factory. Each watt can be spent on overhead, data ingestion, training, or generating...
10 MIN READ
Jun 23, 2026

Build an AI Scientist for Life Science Discovery with NVIDIA BioNeMo Agent Toolkit

AI scientists are emerging as a new interface for scientific computing. These agents can read papers, write code, generate hypotheses, call APIs, inspect...
9 MIN READ
Jun 22, 2026

Enable Real-Time AI for High-Speed Data Acquisition with DAQIRI

When AlphaFold2 revolutionized drug discovery in 2020, its success relied entirely on the roughly 170,000 protein structures collected by scientists since 1971...
10 MIN READ
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,...
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...
13 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