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Software

The Extreme-scale Electronic Structure System
(EXESS)

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The Extreme-scale Electronic Structure System (EXESS) is a high-performance computational quantum chemistry software package and winner of the 2024 ACM Gordon Bell Prize.

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Developed entirely from scratch, EXESS leverages novel algorithms specifically optimized for Graphics Processing Units (GPUs), achieving unprecedented speed, scalability, and power efficiency in quantum molecular modelling and simulations.

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Current benchmarks demonstrate that quantum chemistry methods implemented in EXESS significantly outperform all existing state-of-the-art multi-core CPU and GPU software, setting new standards for computational performance and energy efficiency.

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EXESS is currently being deployed on leading global supercomputing platforms. You can join the waitlist for early access here: https://exess.qdx.co.

Coming Soon ...

Coming Soon ...

Coming Soon ...

Rush

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Rush is an AI-operated virtual drug-design platform that turns high-level goals into executable studies.

The platform orchestrates high-accuracy physics (including quantum where needed) and machine-learning models at cloud and supercomputer scale, then ranks candidates with clear rationale and uncertainty.

A conversational AI co-pilot—Walter—plans runs, launches them, and assembles decision-grade reports, figures, comparisons, and citations—so teams can move from ideas to qualified leads faster.

Rush is browser-based, secure, and built for covalent and non-covalent programs alike, making state-of-the-art simulation usable day-to-day without HPC expertise.

You can access Rush here: https://rush.cloud/

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