Chemistry & Materials Science

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The goal is to provide new or improved materials for use in a wide variety of applications, especially for clean future energy technologies.</p> <p>Perhaps most exciting is the hugely important trend torward miniaturization in nearly all kinds of materials and the burgeoning area of nanotechnology.</p> <p>Science drivers include basic and grand challenges in nanostructures, nanorods, nanowires, nano-confined fluids, nuclear fuel materials, novel alloys, quantum dots, superconductors, catalysts, metallic liquids and glasses, ceramics, and more.</p> <p>Applications inclulde low-emissions combustion, gas separation, hydrogen storage, batteries, fuel cells, power generating turbines, low-power computing, solid-state lighting, electrical energy storage, photovoltaics, tribology, optoelectronics, molecular electronics, superconductivity, and nanophotonics.</p> <p>A key characteristic is the synergy between molecular simulation carried out at NERSC and experimention carried out at important facilities such as the LBNL Molecular Foundry.</p> <p> </p></div></section> <div class="IndexList"> <div class="index-list-item first"> <div class="thumbnail"> <a href="/science/chemistry-and-materials-science/greenhouse-gases-converted-to-fuel/" title="Greenhouse Gases Converted to Fuel"><img width="100" height="100" alt="Diagram depicting electro-reduction of CO2" src="/assets/NewsImages/2013/CO2-conversion/carbon-conversion-fig-1__FillWzEwMCwxMDBd.jpg" loading="lazy" /> </a> </div> <div class="list-text"> <h2 class="article-list-title"><a href="/science/chemistry-and-materials-science/greenhouse-gases-converted-to-fuel/" title="Greenhouse Gases Converted to Fuel">Greenhouse Gases Converted to Fuel<span class="more"></span></a></h2> <div class="DateAuthors"> </div> <p class="Summary">A computational study has identified the mechanism of the electrochemical reduction of the greenhouse gas<br /> carbon dioxide to small molecules such as formic acid,<br /> formaldehyde, and methanol.<br /> <br /> <br /> <br /> <a href="/science/chemistry-and-materials-science/greenhouse-gases-converted-to-fuel/" title="Greenhouse Gases Converted to Fuel" class="more">Read More »</a></p> </div> <div class="clear"></div> </div> <div class="index-list-item "> <div class="thumbnail"> <a href="/science/chemistry-and-materials-science/promise-for-onion-like-carbons-as-supercapacitors/" title="Promise for Onion-Like Carbons as Supercapacitors"><img width="100" height="100" alt="JiangCummingsCoverLarge.gif" src="/assets/CoverStories/JiangCummingsCoverLarge__FillWzEwMCwxMDBd.gif" loading="lazy" /> </a> </div> <div class="list-text"> <h2 class="article-list-title"><a href="/science/chemistry-and-materials-science/promise-for-onion-like-carbons-as-supercapacitors/" title="Promise for Onion-Like Carbons as Supercapacitors">Promise for Onion-Like Carbons as Supercapacitors<span class="more"></span></a></h2> <div class="DateAuthors"> </div> <p class="Summary">Molecular Dynamics has, for the first time, explained the relationship between capacitance and electrode potential in supercapacitors composed of onion-like carbons (OLCs). Supercapacitors are a novel class of energy storage devices that store charge in two closely spaced electrochemical layers. <a href="/science/chemistry-and-materials-science/promise-for-onion-like-carbons-as-supercapacitors/" title="Promise for Onion-Like Carbons as Supercapacitors" class="more">Read More »</a></p> </div> <div class="clear"></div> </div> <div class="index-list-item "> <div class="thumbnail"> <a href="/science/chemistry-and-materials-science/graphene-as-the-ultimate-membrane-for-gas-separation/" title="Graphene as the Ultimate Membrane for Gas Separation"><img width="100" height="100" alt="GraphenePore.jpg" src="/assets/ScienceAtNERSC/GraphenePore__FillWzEwMCwxMDBd.jpg" loading="lazy" /> </a> </div> <div class="list-text"> <h2 class="article-list-title"><a href="/science/chemistry-and-materials-science/graphene-as-the-ultimate-membrane-for-gas-separation/" title="Graphene as the Ultimate Membrane for Gas Separation">Graphene as the Ultimate Membrane for Gas Separation<span class="more"></span></a></h2> <div class="DateAuthors"> </div> <p class="Summary">Graphene, a single-atom–thick flat sheet of carbon atoms, is prized for its range of extraordinary properties. It is useful for products ranging from computer displays to solar cells. But now electronic structure computations carried out solely at NERSC suggest a new role for this impressive material. <a href="/science/chemistry-and-materials-science/graphene-as-the-ultimate-membrane-for-gas-separation/" title="Graphene as the Ultimate Membrane for Gas Separation" class="more">Read More »</a></p> </div> <div class="clear"></div> </div> <div class="index-list-item "> <div class="thumbnail"> <a href="/science/chemistry-and-materials-science/quantum-dynamics-of-elementary-reactions-in-the-gas-phase-and-on-surfaces/" title="Quantum Dynamics of Elementary Reactions in the Gas Phase and on Surfaces"><img width="100" height="100" alt="GuoClipped.png" src="/assets/ScienceAtNERSC/GuoClipped__FillWzEwMCwxMDBd.png" loading="lazy" /> </a> </div> <div class="list-text"> <h2 class="article-list-title"><a href="/science/chemistry-and-materials-science/quantum-dynamics-of-elementary-reactions-in-the-gas-phase-and-on-surfaces/" title="Quantum Dynamics of Elementary Reactions in the Gas Phase and on Surfaces">Quantum Dynamics of Elementary Reactions in the Gas Phase and on Surfaces<span class="more"></span></a></h2> <div class="DateAuthors"> </div> <p class="Summary">These elementary reactions are often at the heart of important processes in combustion and catalysis.<br /> <a href="/science/chemistry-and-materials-science/quantum-dynamics-of-elementary-reactions-in-the-gas-phase-and-on-surfaces/" title="Quantum Dynamics of Elementary Reactions in the Gas Phase and on Surfaces" class="more">Read More »</a></p> </div> <div class="clear"></div> </div> <div class="index-list-item "> <div class="thumbnail"> <a href="/science/chemistry-and-materials-science/transport-and-self-assembly-in-molecular-nanosystems/" title="Transport and Self-Assembly in Molecular Nanosystems"><img width="100" height="100" alt="Kral2.png" src="/assets/ScienceAtNERSC/Kral2__FillWzEwMCwxMDBd.png" loading="lazy" /> </a> </div> <div class="list-text"> <h2 class="article-list-title"><a href="/science/chemistry-and-materials-science/transport-and-self-assembly-in-molecular-nanosystems/" title="Transport and Self-Assembly in Molecular Nanosystems">Transport and Self-Assembly in Molecular Nanosystems<span class="more"></span></a></h2> <div class="DateAuthors"> </div> <p class="Summary">This project marries chemistry, fluid mechanics, mechanical engineering, physics, and computation to explore a veritable universe of fascinating nanostructures. <a href="/science/chemistry-and-materials-science/transport-and-self-assembly-in-molecular-nanosystems/" title="Transport and Self-Assembly in Molecular Nanosystems" class="more">Read More »</a></p> </div> <div class="clear"></div> </div> <div class="index-list-item last"> <div class="thumbnail"> <a href="/science/chemistry-and-materials-science/speeding-up-zeolite-evaluation-for-carbon-capture/" title="Speeding Up Zeolite Evaluation for Carbon Capture"><img width="100" height="100" alt="Zeolite.png" src="/assets/ScienceAtNERSC/Zeolite__FillWzEwMCwxMDBd.png" loading="lazy" /> </a> </div> <div class="list-text"> <h2 class="article-list-title"><a href="/science/chemistry-and-materials-science/speeding-up-zeolite-evaluation-for-carbon-capture/" title="Speeding Up Zeolite Evaluation for Carbon Capture">Speeding Up Zeolite Evaluation for Carbon Capture<span class="more"></span></a></h2> <div class="DateAuthors"> </div> <p class="Summary">Inspection of the structure and the void space of a porous material is a critical step<br /> in most computational studies involving guest molecules. A new method developed at NERSC allows automated detection of inaccessible void spaces. <a href="/science/chemistry-and-materials-science/speeding-up-zeolite-evaluation-for-carbon-capture/" title="Speeding Up Zeolite Evaluation for Carbon Capture" class="more">Read More »</a></p> </div> <div class="clear"></div> </div> <div class="clear"></div> </div> </div> </div> </main> </div>  <div class="footer"> <div class="LastEdited">Last edited: 2024-11-13 16:03:58</div> <div class="footer-wrapper"> <div class="badges"> <a href="http://www.lbl.gov/" title="Visit Lawrence Berkeley National Laboratory’s main website."><img src="/_resources/themes/nersc-sass/images/berkeley-lab-badge.png?m=1740752842" alt="Berkeley Lab logo" /></a> <a href="http://science.energy.gov/" title="Visit the U.S. Department of Energy Office of Science website."><img src="/_resources/themes/nersc-sass/images/doe-badge.png?m=1740752842" alt="U.S. Department of Energy Office of Science logo" /></a> </div> <ul class="footer-links"> <li><a href="/about/contact-us/">Contact us</a></li> <li><a href="https://www.lbl.gov/Disclaimers.html">Privacy & Security</a></li> <li><a href="https://cs.lbl.gov">Computing Sciences Area</a></li> </ul> </div> </div> </div> </div> <script data-cfasync="false" src="/cdn-cgi/scripts/5c5dd728/cloudflare-static/email-decode.min.js"></script><script type="application/javascript" src="/_resources/themes/nersc-sass/javascript/jquery.min.js?m=1740752842"></script> <script type="application/javascript" src="/_resources/app/javascript/no-console.js?m=1740752842"></script> <script type="application/javascript" src="/_resources/app/javascript/jquery.beautyOfCode.js?m=1740752842"></script> <script type="application/javascript" src="/_resources/app/javascript/dataTables-1.7/media/js/jquery.dataTables.min.js?m=1740752842"></script> <script type="application/javascript" src="/_resources/app/javascript/shadowbox-3.0.3/shadowbox.js?m=1740752842"></script> <script type="application/javascript" src="/_resources/app/javascript/jquery.metadata.2.0/jquery.metadata.min.js?m=1740752842"></script> <script type="application/javascript" src="/_resources/app/javascript/jquery.media.js?m=1740752842"></script> <script type="application/javascript" src="/_resources/app/javascript/jquery.oembed.min.js?m=1740752842"></script> <script type="application/javascript" src="/_resources/app/javascript/jquery.cycle/jquery.cycle.all.min.js?m=1740752842"></script> <script type="application/javascript" src="/_resources/themes/nersc-sass/javascript/jquery-ui-1.8.7.custom/js/jquery-ui-1.8.7.custom.min.js?m=1740752842"></script> <script type="application/javascript" src="/_resources/app/javascript/jquery.expander/jquery.expander.min.js?m=1740752842"></script> <script type="application/javascript" src="/_resources/app/javascript/core.js?m=1740752842"></script> <script type="application/javascript" src="/_resources/themes/nersc-sass/javascript/theme-core.js?m=1740752842"></script> </body> </html>

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