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<\/p>\n\n UCL researchers, working with NVIDIA and European partners, demonstrated a breakthrough new biomolecular simulation platform at the world’s leading AI conference on 16 March 2026. <\/p>\n
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Accurately simulating biomolecular systems at scale is essential for understanding the molecular mechanisms that underpin biology, health and disease. Integrating quantum computing into conventional supercomputing allows researchers to study complex biological molecules with unprecedented precision, opening the door to breakthroughs in areas like drug discovery and molecular engineering.<\/p>\n
A research collaboration between University College London<\/a>, Technical University of Munich<\/a>, Ludwig-Maximilians-Universit\u00e4t M\u00fcnchen (LMU)<\/a>, NVIDIA<\/a>, Leibniz Supercomputing Centre (LRZ)<\/a>, QMatter<\/a> and IQM Quantum Computers<\/a> has developed an integrated biomolecular simulation pipeline that couples GPU acceleration, conventional supercomputing and quantum computing using the NVIDIA CUDA-Q<\/a> platform.<\/p>\n A New Era of Biomolecular Simulation<\/p>\n At GTC 2026 in San Jose, UCL and its partners have demonstrated a\u00a0new integrated biomolecular simulation pipeline\u00a0that:<\/p>\n Combines\u00a0quantum computing,\u00a0GPU\u2011accelerated supercomputing, and\u00a0classical simulation\u00a0in a\u00a0single\u00a0pipelinePreserves quantum\u2011level accuracy where needed, while scaling to full biological systemsRuns on a\u00a054\u2011qubit IQM Euro\u2011Q\u2011Exa system\u00a0plus\u00a0120 NVIDIA H100 GPUs\u00a0at LRZRepresents a\u00a0scientific first\u00a0in hybrid quantum\u2013GPU simulation at realistic biological scale<\/p>\n The new pipeline has been\u00a0successfully demonstrated on a G\u2011protein\u2011coupled receptor (GPCR)\u2014an important target in drug discovery<\/p>\n GPCRs control critical physiological processes ranging from heart function to brain signalling and are arguably the most important class of drug targets, with roughly one-third of approved medicines acting on them. Their size, structural complexity, and membrane environment make them particularly challenging to model.<\/p>\n The multiscale, quantum-accelerated approach developed in this project opens new possibilities for studying these important systems. The new integrated pipeline has expanded the role of computation in biomolecular science, enabling deeper insights into molecular mechanisms under realistic conditions.<\/p>\n An agenda-setting strategic research and innovation partnership<\/p>\n This announcement marks a major milestone in the research relationship between UCL and NVIDIA. In 2025 UCL was chosen as the sole UK partner in developing sovereign AI capabilities<\/a> with NVIDIA. This was\u00a0followed by\u00a0the delivery of two successful collaborative events: the UCL-NVIDIA Robotics Day<\/a> in February and AI Festival<\/a> in March 2026.<\/p>\n It positions UCL as a\u00a0scientific leader\u00a0in hybrid quantum\u2011classical simulation and a key contributor to next\u2011generation methods in drug discovery, molecular modelling, data\u2011intensive life sciences and heterogeneous computing at scale.<\/p>\n Professor Geraint Rees, UCL Vice Provost (Research, Innovation and Global Engagement), said: \u201cGTC 2026 marks a year of rapid progress in our collaboration with NVIDIA\u2014moving from first conversations to a working hybrid quantum\u2013GPU workflow. It shows how UCL combines scientific leadership with cutting\u2011edge platforms to accelerate discovery.\u201d<\/p>\n Professor Peter Coveney, Director of UCL\u2019s Centre for Computational Science and the Computational Life and Medical Sciences Network, said: \u201cBy integrating quantum computing with GPU\u2011accelerated supercomputing, we can model biological systems with quantum\u2011level accuracy at realistic scale. This opens a practical path to studying complex molecular mechanisms in entirely new ways.\u201d<\/p>\n","protected":false},"excerpt":{"rendered":"UCL researchers, working with NVIDIA and European partners, demonstrated a breakthrough new biomolecular simulation platform at the world’s…\n","protected":false},"author":2,"featured_media":358320,"comment_status":"","ping_status":"","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[24],"tags":[85,46,370,141],"class_list":["post-358319","post","type-post","status-publish","format-standard","has-post-thumbnail","category-physics","tag-il","tag-israel","tag-physics","tag-science"],"_links":{"self":[{"href":"https:\/\/www.newsbeep.com\/il\/wp-json\/wp\/v2\/posts\/358319","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.newsbeep.com\/il\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.newsbeep.com\/il\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.newsbeep.com\/il\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/www.newsbeep.com\/il\/wp-json\/wp\/v2\/comments?post=358319"}],"version-history":[{"count":0,"href":"https:\/\/www.newsbeep.com\/il\/wp-json\/wp\/v2\/posts\/358319\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.newsbeep.com\/il\/wp-json\/wp\/v2\/media\/358320"}],"wp:attachment":[{"href":"https:\/\/www.newsbeep.com\/il\/wp-json\/wp\/v2\/media?parent=358319"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.newsbeep.com\/il\/wp-json\/wp\/v2\/categories?post=358319"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.newsbeep.com\/il\/wp-json\/wp\/v2\/tags?post=358319"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}