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.