Researchers led by Associate Professor Giuseppe Barca at the University of Melbourne have made significant advances in drug discovery using high-performance computing and quantum chemistry. Utilizing the powerful Frontier supercomputer, they achieved the first quantum simulation of biological systems at a scale necessary to model drug performance accurately. This breakthrough allows for highly precise predictions of molecular behavior, crucial for evaluating and designing new therapeutics. The research combines expertise in chemistry, quantum mechanics, and supercomputing, setting a new benchmark in computational chemistry and accelerating drug development.
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