{"id":3526,"date":"2026-03-08T10:58:37","date_gmt":"2026-03-08T10:58:37","guid":{"rendered":"https:\/\/paramus.ai\/app\/lammps\/"},"modified":"2026-03-08T11:26:18","modified_gmt":"2026-03-08T11:26:18","slug":"lammps","status":"publish","type":"page","link":"https:\/\/paramus.ai\/app\/lammps\/","title":{"rendered":"LAMMPS"},"content":{"rendered":"\n<p style=\"font-size:14px\"><a href=\"https:\/\/paramus.ai\/app_store\/\">&larr; Back to App Store<\/a><\/p>\n\n\n\n<h1 class=\"wp-block-heading has-text-align-center\" style=\"font-size:42px;margin-bottom:0.3em\">LAMMPS<\/h1>\n\n\n\n<h4 class=\"wp-block-heading has-text-align-center\" style=\"margin-bottom:0.5em\">Large-scale Atomic\/Molecular Massively Parallel Simulator<\/h4>\n\n\n\n<p class=\"has-text-align-center\"><span style=\"color:#666\">Computing Applications (HPC)<\/span>&nbsp;&nbsp;<span style=\"background:#dc3545;color:#fff;padding:3px 10px;border-radius:4px;font-size:13px\">Academic \/ non-commercial (Partial)<\/span><\/p>\n\n\n\n<figure data-wp-context=\"{&quot;imageId&quot;:&quot;69f894a425232&quot;}\" data-wp-interactive=\"core\/image\" data-wp-key=\"69f894a425232\" class=\"wp-block-image aligncenter size-large has-custom-border wp-lightbox-container\"><img decoding=\"async\" data-wp-class--hide=\"state.isContentHidden\" data-wp-class--show=\"state.isContentVisible\" data-wp-init=\"callbacks.setButtonStyles\" data-wp-on--click=\"actions.showLightbox\" data-wp-on--load=\"callbacks.setButtonStyles\" data-wp-on-window--resize=\"callbacks.setButtonStyles\" src=\"https:\/\/paramus.ai\/wp-content\/uploads\/2025\/12\/image-1.png\" alt=\"LAMMPS\" class=\"has-border-color has-cyan-bluish-gray-border-color\" style=\"border-width:1px;border-radius:4px\"\/><button\n\t\t\tclass=\"lightbox-trigger\"\n\t\t\ttype=\"button\"\n\t\t\taria-haspopup=\"dialog\"\n\t\t\taria-label=\"Enlarge\"\n\t\t\tdata-wp-init=\"callbacks.initTriggerButton\"\n\t\t\tdata-wp-on--click=\"actions.showLightbox\"\n\t\t\tdata-wp-style--right=\"state.imageButtonRight\"\n\t\t\tdata-wp-style--top=\"state.imageButtonTop\"\n\t\t>\n\t\t\t<svg xmlns=\"http:\/\/www.w3.org\/2000\/svg\" width=\"12\" height=\"12\" fill=\"none\" viewBox=\"0 0 12 12\">\n\t\t\t\t<path fill=\"#fff\" d=\"M2 0a2 2 0 0 0-2 2v2h1.5V2a.5.5 0 0 1 .5-.5h2V0H2Zm2 10.5H2a.5.5 0 0 1-.5-.5V8H0v2a2 2 0 0 0 2 2h2v-1.5ZM8 12v-1.5h2a.5.5 0 0 0 .5-.5V8H12v2a2 2 0 0 1-2 2H8Zm2-12a2 2 0 0 1 2 2v2h-1.5V2a.5.5 0 0 0-.5-.5H8V0h2Z\" \/>\n\t\t\t<\/svg>\n\t\t<\/button><\/figure>\n\n\n\n<h3 class=\"wp-block-heading\" style=\"margin-top:1.5em\">About<\/h3>\n\n\n\n<p>A <strong>molecular dynamics engine<\/strong> for scalable simulations of materials and polymers. Supports a wide variety of force fields, potentials, and simulation methods.<\/p>\n\n\n\n<h3 class=\"wp-block-heading\" style=\"margin-top:1.2em\">Key Features<\/h3>\n\n\n\n<ul class=\"wp-block-list\">\n<li>Potentials: LJ, EAM, Tersoff, ReaxFF, AIREBO<\/li>\n\n\n\n<li>Ensembles: NVE, NVT, NPT, NPH<\/li>\n\n\n\n<li>GPU: CUDA, OpenCL, Kokkos<\/li>\n\n\n\n<li>Parallelization: MPI, OpenMP<\/li>\n<\/ul>\n\n\n\n<div class=\"wp-block-buttons is-content-justification-center is-layout-flex wp-container-core-buttons-is-layout-a89b3969 wp-block-buttons-is-layout-flex\">\n<div class=\"wp-block-button has-custom-width wp-block-button__width-50\"><a class=\"wp-block-button__link has-background has-medium-font-size wp-element-button\" href=\"#\" style=\"border-radius:4px;background-color:#000\" target=\"_blank\" rel=\"noreferrer noopener nofollow\">Buy<\/a><\/div>\n\n<div class=\"wp-block-button has-custom-width wp-block-button__width-50\"><a class=\"wp-block-button__link has-background has-medium-font-size wp-element-button\" href=\"#\" style=\"border-radius:4px;background-color:#000\" target=\"_blank\" rel=\"noreferrer noopener\">Activate<\/a><\/div>\n<\/div>\n\n\n\n<p class=\"has-small-font-size\">Academic\/non-commercial license applies.<\/p>\n\n\n\n<h3 class=\"wp-block-heading\" style=\"margin-top:1.2em\">Citation<\/h3>\n\n\n\n<p style=\"font-size:13px;line-height:1.5\"><strong>Plimpton, S.<\/strong> Fast Parallel Algorithms for Short-Range Molecular Dynamics. J. Comput. Phys. 117, 1-19 (<strong>1995<\/strong>). DOI:10.1006\/jcph.1995.1039<\/p>\n\n\n\n<h3 class=\"wp-block-heading\" style=\"margin-top:1.5em\">Frequently Asked Questions<\/h3>\n\n\n\n<h5 class=\"wp-block-heading\" style=\"margin-top:1em;margin-bottom:0.3em\">What is LAMMPS?<\/h5>\n\n\n\n<p style=\"font-size:14px;line-height:1.6\">LAMMPS is a computing applications (hpc) application available in the Paramus App Store. A molecular dynamics engine for scalable simulations of materials and polymers. Supports a wide variety of force fields, potentials, and simulation methods.<\/p>\n\n\n\n<h5 class=\"wp-block-heading\" style=\"margin-top:1em;margin-bottom:0.3em\">What license does LAMMPS require?<\/h5>\n\n\n\n<p style=\"font-size:14px;line-height:1.6\">LAMMPS is distributed under the Academic \/ non-commercial (Partial) license. Commercial use may require a separate license. License compliance is verified during Paramus OS registration.<\/p>\n\n\n\n<h5 class=\"wp-block-heading\" style=\"margin-top:1em;margin-bottom:0.3em\">How do I install LAMMPS?<\/h5>\n\n\n\n<p style=\"font-size:14px;line-height:1.6\">LAMMPS is installed through Paramus Chemistry OS, an on-premise Windows platform for computational chemistry. Open the Paramus App Store in your local installation and select LAMMPS for one-click deployment.<\/p>\n\n\n\n<h5 class=\"wp-block-heading\" style=\"margin-top:1em;margin-bottom:0.3em\">What are the key features of LAMMPS?<\/h5>\n\n\n\n<p style=\"font-size:14px;line-height:1.6\">Key features of LAMMPS include: Potentials: LJ, EAM, Tersoff, ReaxFF, AIREBO; Ensembles: NVE, NVT, NPT, NPH; GPU: CUDA, OpenCL, Kokkos; Parallelization: MPI, OpenMP.<\/p>\n\n\n\n<h5 class=\"wp-block-heading\" style=\"margin-top:1em;margin-bottom:0.3em\">What type of application is LAMMPS?<\/h5>\n\n\n\n<p style=\"font-size:14px;line-height:1.6\">LAMMPS belongs to the &#8220;Computing Applications (HPC)&#8221; category in the Paramus App Store. It runs on Paramus Chemistry OS and can also be accessed through Paramus Cloud for supported workflows.<\/p>\n\n\n\n<h5 class=\"wp-block-heading\" style=\"margin-top:1em;margin-bottom:0.3em\">What platform does LAMMPS run on?<\/h5>\n\n\n\n<p style=\"font-size:14px;line-height:1.6\">LAMMPS runs on Paramus Chemistry OS, a Windows-based on-premise platform that provides local compute power for demanding simulations. It requires a Paramus OS installation with appropriate hardware resources.<\/p>\n\n\n\n<h5 class=\"wp-block-heading\" style=\"margin-top:1em;margin-bottom:0.3em\">Can LAMMPS be automated or integrated with AI workflows?<\/h5>\n\n\n\n<p style=\"font-size:14px;line-height:1.6\">Yes. LAMMPS is available as part of the Paramus ecosystem which supports MCP (Model Context Protocol) tools for AI-driven automation. This enables integration with large language models and automated research pipelines.<\/p>\n\n\n\n<h5 class=\"wp-block-heading\" style=\"margin-top:1em;margin-bottom:0.3em\">How should I cite LAMMPS in publications?<\/h5>\n\n\n\n<p style=\"font-size:14px;line-height:1.6\">The recommended citation for LAMMPS is: Plimpton, S. Fast Parallel Algorithms for Short-Range Molecular Dynamics. J. Comput. Phys. 117, 1-19 (1995). DOI:10.1006\/jcph.1995.1039<\/p>\n\n\n\n<script type=\"application\/ld+json\">{\"@context\":\"https:\/\/schema.org\",\"@type\":\"FAQPage\",\"mainEntity\":[{\"@type\":\"Question\",\"name\":\"What is LAMMPS?\",\"acceptedAnswer\":{\"@type\":\"Answer\",\"text\":\"LAMMPS is a computing applications (hpc) application available in the Paramus App Store. A molecular dynamics engine for scalable simulations of materials and polymers. 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DOI:10.1006\/jcph.1995.1039\"}}]}<\/script>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity is-style-wide\"\/>\n\n\n\n<p class=\"has-text-align-center\" style=\"font-size:14px\"><a href=\"https:\/\/paramus.ai\/app_store\/\">Browse all apps in the Paramus App Store<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>&larr; Back to App Store LAMMPS Large-scale Atomic\/Molecular Massively Parallel Simulator Computing Applications (HPC)&nbsp;&nbsp;Academic \/ non-commercial (Partial) About A molecular [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":3511,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"content-type":"","inline_featured_image":false,"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"default","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","ast-disable-related-posts":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"footnotes":""},"wf_page_folders":[24],"class_list":["post-3526","page","type-page","status-publish","hentry"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.5 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>LAMMPS - Chemistry for AI<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/paramus.ai\/app\/lammps\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"LAMMPS - Chemistry for AI\" \/>\n<meta property=\"og:description\" content=\"&larr; 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Back to App Store LAMMPS Large-scale Atomic\/Molecular Massively Parallel Simulator Computing Applications (HPC)&nbsp;&nbsp;Academic \/ non-commercial (Partial) About A molecular [&hellip;]","_links":{"self":[{"href":"https:\/\/paramus.ai\/wp-json\/wp\/v2\/pages\/3526","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/paramus.ai\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/paramus.ai\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/paramus.ai\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/paramus.ai\/wp-json\/wp\/v2\/comments?post=3526"}],"version-history":[{"count":3,"href":"https:\/\/paramus.ai\/wp-json\/wp\/v2\/pages\/3526\/revisions"}],"predecessor-version":[{"id":3672,"href":"https:\/\/paramus.ai\/wp-json\/wp\/v2\/pages\/3526\/revisions\/3672"}],"up":[{"embeddable":true,"href":"https:\/\/paramus.ai\/wp-json\/wp\/v2\/pages\/3511"}],"wp:attachment":[{"href":"https:\/\/paramus.ai\/wp-json\/wp\/v2\/media?parent=3526"}],"wp:term":[{"taxonomy":"wf_page_folders","embeddable":true,"href":"https:\/\/paramus.ai\/wp-json\/wp\/v2\/wf_page_folders?post=3526"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}