About Simatra

What Simatra is

Simatra is a cloud platform for computational materials science. Researchers, materials scientists, and university labs use it to run plane-wave DFT calculations — with Quantum ESPRESSO or our own open-source KRONOS engine — on GPU-optimized clusters, without queuing for university HPC time. New accounts start with a free trial that includes $100 in compute credits.

The platform lives at app.simatra.io; this site hosts our technical blog on DFT and Quantum ESPRESSO and the details of our computational engines.

The company

Simatra is built and operated by Shipscale Software Solutions Private Limited, registered in India:

Kursi Cowork, 3rd Floor, LK Logistics and Corporate Park, Raipur, Chhattisgarh 492015, India

Open source

KRONOS, our from-scratch plane-wave DFT engine (C++20 with CUDA/HIP/Metal GPU backends), is released under the GPL-3.0 license and validated against Quantum ESPRESSO. Source, documentation, and benchmarks are at kdpisda.github.io/kronos.

Get in touch

Book a demo or a short call via our contact page. For privacy questions and data-rights requests, see the Privacy Policy.