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class="site-main" role="main"> <div class="cf-posts-with-overrides"> <article id="post-75747" class="post-with-sidebar post-75747 post type-post status-publish format-standard has-post-thumbnail hentry category-enterprise tag-artificial-intelligence tag-climate tag-energy tag-gpu tag-inference tag-nvidia-ai-enterprise tag-nvidia-nim tag-science tag-scientific-visualization tag-social-impact tag-supercomputing tag-sustainability loop-item-1 for-pagenum-1" data-url="https://blogs.nvidia.com/blog/alchemi-nim/" data-identifier="75747 https://blogs.nvidia.com/?p=75747" data-title="From Algorithms to Atoms: NVIDIA ALCHEMI NIM Catalyzes Sustainable Materials Research for EV Batteries, Solar Panels and More" > <header class="entry-header"> <div class="inner3">  <h1>From Algorithms to Atoms: NVIDIA ALCHEMI NIM Catalyzes Sustainable Materials Research for EV Batteries, Solar Panels and More</h1> <div class="nvb4-subtitle"> <div class="nvb4-subtitle-inner"> The new microservice accelerates novel materials discovery to help developers and researchers speed the renewable energy transition. </div> </div> <div class="author_meta"> <span class="entry-date">November 18, 2024</span> <span class="meta-sep">by</span> <span class="author vcard"><a class="url fn n" href="https://blogs.nvidia.com/blog/author/geetikagupta/" title="View all posts by Geetika Gupta">Geetika Gupta</a></span> </div> </div>  <div class="entry-title img-bg orientation-landscape"> <div class="tile-image-wrapper"><img width="1280" height="680" src="https://blogs.nvidia.com/wp-content/uploads/2024/11/alchemi-nim-featured-1280x680-1.jpg" class="attachment-medium_large size-medium_large" alt="" decoding="async" fetchpriority="high" srcset="https://blogs.nvidia.com/wp-content/uploads/2024/11/alchemi-nim-featured-1280x680-1.jpg 1280w, https://blogs.nvidia.com/wp-content/uploads/2024/11/alchemi-nim-featured-1280x680-1-960x510.jpg 960w" sizes="(max-width: 1280px) 100vw, 1280px" /></div> </div> </header>  <div class="entry-meta-social"> <div class="share-count-section"> <span class="share-text"> <span class="icon icon-share"></span> Share </span> </div> <ul class="entry-meta-social-links-list"> <li><a href="https://twitter.com/intent/tweet?text=From Algorithms to Atoms: NVIDIA ALCHEMI NIM Catalyzes Sustainable Materials Research for EV Batteries, Solar Panels and More https%3A%2F%2Fblogs.nvidia.com%2Fblog%2Falchemi-nim%2F" class="nvb4-social-share-link for-twitter" target="_blank"> <span class="icon icon-twitter"></span> </a></li><li><a href="https://www.facebook.com/sharer/sharer.php?u=https%3A%2F%2Fblogs.nvidia.com%2Fblog%2Falchemi-nim%2F" class="nvb4-social-share-link for-facebook" target="_blank"> <span class="icon icon-facebook"></span> </a></li><li><a href="http://news.ycombinator.com/submitlink?u=https%3A%2F%2Fblogs.nvidia.com%2Fblog%2Falchemi-nim%2F&t=NVIDIA+ALCHEMI+NIM+Catalyzes+Sustainable+Materials+Research+for+EV+Batteries%2C+Solar+Panels+and+More+%7C+NVIDIA+Blog" 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reading_time="3"></span> <span class="bsf-rt-display-postfix" postfix="mins"></span></span><div id="bsf_rt_marker"></div><p>More than <a target="_blank" href="https://www.ifc.org/content/dam/ifc/doc/mgrt/ifc-sectornote-outlookforchemicals-final.pdf">96%</a> of all manufactured goods — ranging from everyday products, like laundry detergent and food packaging, to advanced industrial components, such as semiconductors, batteries and solar panels — rely on chemicals that cannot be replaced with alternative materials.</p> <p>With AI and the latest technological advancements, researchers and developers are studying ways to create novel materials that could address the world’s toughest challenges, such as energy storage and environmental remediation.</p> <p>Announced today at the <a target="_blank" href="https://www.nvidia.com/en-us/events/supercomputing/?srsltid=AfmBOoosUwbNk4vUO_xaXF7Cc57yrUx_XmQuBNV324iojdsIxD770XDU">Supercomputing 2024</a> conference in Atlanta, the NVIDIA ALCHEMI <a target="_blank" href="https://www.nvidia.com/en-us/ai/">NIM microservice</a> accelerates such research by optimizing AI inference for chemical simulations that could lead to more efficient and sustainable materials to support the renewable energy transition.</p> <p>It’s one of the many ways NVIDIA is supporting researchers, developers and enterprises to boost energy and resource efficiency in their workflows, including to meet requirements aligned with the global <a target="_blank" href="https://www.net-zero-initiative.com/en">Net Zero Initiative</a>.</p> <h2><b>NVIDIA ALCHEMI for Material and Chemical Simulations</b></h2> <p>Exploring the universe of potential materials, using the nearly infinite combinations of chemicals — each with unique characteristics — can be extremely complex and time consuming. Novel materials are typically discovered through laborious, trial-and-error synthesis and testing in a traditional lab.</p> <p>Many of today’s plastics, for example, are still based on material discoveries made in the mid-1900s.</p> <p>More recently, AI has emerged as a promising accelerant for chemicals and materials innovation.</p> <p>With the new ALCHEMI NIM microservice, researchers can test chemical compounds and material stability in simulation, in a virtual AI lab, which reduces costs, energy consumption and time to discovery.</p> <p>For example, running <a target="_blank" href="https://arxiv.org/abs/2401.00096">MACE-MP-0</a>, a pretrained foundation model for materials chemistry, on an <a target="_blank" href="https://www.nvidia.com/en-us/data-center/h100/">NVIDIA H100 Tensor Core GPU</a>, the new NIM microservice speeds evaluations of a potential composition’s simulated long-term stability 100x. The below figure shows a 25x speedup from using the NVIDIA Warp Python framework for high-performance simulation, followed by a 4x speedup with in-flight batching. All in all, evaluating 16 million structures would have taken months — with the NIM microservice, it can be done in just hours.</p> <p><img decoding="async" class="aligncenter size-full wp-image-75750" src="https://blogs.nvidia.com/wp-content/uploads/2024/11/alchemi-nim-chart.jpg" alt="" width="1999" height="791" srcset="https://blogs.nvidia.com/wp-content/uploads/2024/11/alchemi-nim-chart.jpg 1999w, https://blogs.nvidia.com/wp-content/uploads/2024/11/alchemi-nim-chart-960x380.jpg 960w, https://blogs.nvidia.com/wp-content/uploads/2024/11/alchemi-nim-chart-1680x665.jpg 1680w, https://blogs.nvidia.com/wp-content/uploads/2024/11/alchemi-nim-chart-1280x506.jpg 1280w, https://blogs.nvidia.com/wp-content/uploads/2024/11/alchemi-nim-chart-1536x608.jpg 1536w" sizes="(max-width: 1999px) 100vw, 1999px" /></p> <p>By letting scientists examine more structures in less time, the NIM microservice can boost research on materials for use with solar and electric batteries, for example, to bolster the renewable energy transition.</p> <p>NVIDIA also plans to release NIM microservices that can be used to simulate the manufacturability of novel materials — to determine how they might be brought from test tubes into the real world in the form of batteries, solar panels, fertilizers, pesticides and other essential products that can contribute to a healthier, greener planet.</p> <p><a target="_blank" href="https://www.ses.ai/">SES AI</a>, a leading developer of lithium-metal batteries, is using the NVIDIA ALCHEMI NIM microservice with the <a target="_blank" href="https://chemrxiv.org/engage/chemrxiv/article-details/6525b39e8bab5d2055123f75">AIMNet2</a> model to accelerate the identification of electrolyte materials used for electric vehicles.</p> <p>“SES AI is dedicated to advancing lithium battery technology through AI-accelerated material discovery, using our Molecular Universe Project to explore and identify promising candidates for lithium metal electrolyte discovery,” said Qichao Hu, CEO of SES AI. “Using the ALCHEMI NIM microservice with AIMNet2 could drastically improve our ability to map molecular properties, reducing time and costs significantly and accelerating innovation.”</p> <p>SES AI recently mapped 100,000 molecules in half a day, with the potential to achieve this in under an hour using ALCHEMI. This signals how the microservice is poised to have a transformative impact on material screening efficiency.</p> <p>Looking ahead, SES AI aims to map the properties of up to 10 billion molecules within the next couple of years, pushing the boundaries of AI-driven, high-throughput discovery.</p> <p>The new microservice will soon be available for researchers to test for free through the <a target="_blank" href="https://catalog.ngc.nvidia.com/">NVIDIA NGC</a> catalog —<a target="_blank" href="https://www.nvidia.com/en-us/content/g/alchemi-nim/"> be notified</a> of ALCHEMI’s launch. It will also be downloadable from <a target="_blank" href="http://build.nvidia.com">build.nvidia.com</a>, and the production-grade NIM microservice will be offered through the <a target="_blank" href="https://www.nvidia.com/en-us/data-center/products/ai-enterprise/?srsltid=AfmBOooICojeCS4rx5Uh8gOlO518zYqHmdh6fYyt9dKDvzJxhTPZMFX2">NVIDIA AI Enterprise</a> software platform.</p> <p><i>Learn more about the </i><a target="_blank" href="https://nvidia.slack.com/archives/C080X05V63Z/p1731947161451579"><i>NVIDIA ALCHEMI NIM microservice</i></a><i>, </i><i>and hear the latest on how AI and supercomputing are supercharging researchers and developers’ workflows by joining </i><a target="_blank" href="https://www.nvidia.com/en-us/events/supercomputing/?srsltid=AfmBOoosUwbNk4vUO_xaXF7Cc57yrUx_XmQuBNV324iojdsIxD770XDU"><i>NVIDIA at SC24</i></a><i>, running through Friday, Nov. 22.</i></p> <p><i>See</i> <a target="_blank" href="https://www.nvidia.com/en-us/about-nvidia/legal-info/"><i>notice</i></a><i> regarding software product information.</i></p> <div class="has-social-placeholder has-content-area" data-url="https://blogs.nvidia.com/blog/alchemi-nim/" data-title="From Algorithms to Atoms: NVIDIA ALCHEMI NIM Catalyzes Sustainable Materials Research for EV Batteries, Solar Panels and More" data-hashtags="" data-post-id="75747"></div> <footer id="post-footer" class="entry-footer "> <div class="entry-footer-categories"><span class="cat-links">Categories: <a href="https://blogs.nvidia.com/blog/category/enterprise/" rel="category tag">Data Center</a></span></div><div class="entry-footer-tags"><span class="tags-links">Tags: <a href="https://blogs.nvidia.com/blog/tag/artificial-intelligence/" rel="tag">Artificial Intelligence</a> | <a href="https://blogs.nvidia.com/blog/tag/climate/" rel="tag">Climate</a> | <a href="https://blogs.nvidia.com/blog/tag/energy/" rel="tag">Energy</a> | <a 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