Easy-to-use
Quantum ESPRESSO
in the cloud

Design structures, run simulations, and analyze complex data on the cloud in private, team, or global environments.

QE on Mat3ra

Quantum ESPRESSO is a leading open-source suite for first-principles electronic-structure calculations based on density-functional theory, plane waves, and pseudopotentials. QE can perform different tasks, including ground-state calculations, structural optimization, molecular dynamics, potential energy surfaces, electrochemistry, special boundary conditions response properties (DFPT), spectroscopic properties, quantum transport, and more.

QE is one of the simulation engines supported on Mat3ra platform.
Focus on Science
Get started with a couple of clicks; no need to install or configure QE executables. Use community templates to learn advanced QE workflows quickly.
Obtain Results Faster
Seamlessly speed up, parallelize, or scale up QE calculations using cloud-based high-performance computing. Prices start at
2 cents per core-hour.
Organize Data Better
Collaborate with your colleagues and the global community to learn and exchange information about the best practices and prepare for AI/ML

The Mat3ra Platform

Mat3ra helps chemists and materials scientists organize their work and collaborate in a single, easy-to-use cloud environment. Entire teams can rapidly learn and deploy a variety of modeling tools able to accelerate the R&D phase and provide the foundation for faster product development.

Mat3ra helps chemists and materials scientists organize their work and collaborate in a single, easy-to-use cloud environment. Entire teams can rapidly learn and deploy a variety of modeling tools able to accelerate the R&D phase and provide the foundation for faster product development.

7 419
Simulation Workflows
30 127
Materials Stored
59 255
Calculations Run
208 140
Properties Predicted

Use Cases for Quantum ESPRESSO on Mat3ra

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Customer Testimonials

Intermolecular
Accelerate R&D

"Mat3ra allowed us to significantly accelerate our research and development efforts by leveraging state-of-the-art advancements in materials simulations and high performance computing in the cloud."

Dr. Sergey Barabash
Materials & Device Simulations, Intermolecular, Inc. (acq. by Merck KGaA)
Techno solutions
Improve speed and accuracy of the modeling techniques

"Mat3ra lets us improve speed and accuracy of the modeling techniques we deploy and helps organize the resulting data. Accessible and collaborative interface allows us to train new users in nanoscale simulations much faster."

Dr. Kazuki Mori
Science and Engineering Systems Division, ITOCHU Techno-solutions, Inc.
Tokyo U
Top-tier computational resources

"With Mat3ra we have top-tier computational resources and support in a very cost-efficient manner. This helps us reduce the time required to educate new group members in performing state-of-the-art research in molecular modeling."

Dr. Jun Koyanagi
Dept. of Materials Science and Technology, Tokyo University of Science

Pricing plans

The pricing is dependent on the Service Level. We aim to have a flexible scheme where customers always pay on-demand for the value they extract.

Try Quantum ESPRESSO
on Mat3ra

Get $10 credits for your first calculation