{"id":1472,"date":"2026-05-08T16:06:52","date_gmt":"2026-05-08T23:06:52","guid":{"rendered":"https:\/\/faculty.engineering.asu.edu\/hong\/?page_id=1472"},"modified":"2026-06-06T10:57:23","modified_gmt":"2026-06-06T17:57:23","slug":"sluschi-up","status":"publish","type":"page","link":"https:\/\/faculty.engineering.asu.edu\/hong\/sluschi-up\/","title":{"rendered":"SLUSCHI-UP"},"content":{"rendered":"<div class=\"wp-bootstrap-blocks-container container mb-2\">\n\t\n<div class=\"wp-bootstrap-blocks-row row\">\n\t\n\n<div class=\"col-12 col-md-10\">\n\t\t\t\n<div class=\"wp-bootstrap-blocks-container container mb-2\">\n\t\n<script>\nvar gform;gform||(document.addEventListener(\"gform_main_scripts_loaded\",function(){gform.scriptsLoaded=!0}),document.addEventListener(\"gform\/theme\/scripts_loaded\",function(){gform.themeScriptsLoaded=!0}),window.addEventListener(\"DOMContentLoaded\",function(){gform.domLoaded=!0}),gform={domLoaded:!1,scriptsLoaded:!1,themeScriptsLoaded:!1,isFormEditor:()=>\"function\"==typeof InitializeEditor,callIfLoaded:function(o){return!(!gform.domLoaded||!gform.scriptsLoaded||!gform.themeScriptsLoaded&&!gform.isFormEditor()||(gform.isFormEditor()&&console.warn(\"The use of gform.initializeOnLoaded() is deprecated in the form editor context and will be removed in Gravity Forms 3.1.\"),o(),0))},initializeOnLoaded:function(o){gform.callIfLoaded(o)||(document.addEventListener(\"gform_main_scripts_loaded\",()=>{gform.scriptsLoaded=!0,gform.callIfLoaded(o)}),document.addEventListener(\"gform\/theme\/scripts_loaded\",()=>{gform.themeScriptsLoaded=!0,gform.callIfLoaded(o)}),window.addEventListener(\"DOMContentLoaded\",()=>{gform.domLoaded=!0,gform.callIfLoaded(o)}))},hooks:{action:{},filter:{}},addAction:function(o,r,e,t){gform.addHook(\"action\",o,r,e,t)},addFilter:function(o,r,e,t){gform.addHook(\"filter\",o,r,e,t)},doAction:function(o){gform.doHook(\"action\",o,arguments)},applyFilters:function(o){return gform.doHook(\"filter\",o,arguments)},removeAction:function(o,r){gform.removeHook(\"action\",o,r)},removeFilter:function(o,r,e){gform.removeHook(\"filter\",o,r,e)},addHook:function(o,r,e,t,n){null==gform.hooks[o][r]&&(gform.hooks[o][r]=[]);var d=gform.hooks[o][r];null==n&&(n=r+\"_\"+d.length),gform.hooks[o][r].push({tag:n,callable:e,priority:t=null==t?10:t})},doHook:function(r,o,e){var t;if(e=Array.prototype.slice.call(e,1),null!=gform.hooks[r][o]&&((o=gform.hooks[r][o]).sort(function(o,r){return o.priority-r.priority}),o.forEach(function(o){\"function\"!=typeof(t=o.callable)&&(t=window[t]),\"action\"==r?t.apply(null,e):e[0]=t.apply(null,e)})),\"filter\"==r)return e[0]},removeHook:function(o,r,t,n){var e;null!=gform.hooks[o][r]&&(e=(e=gform.hooks[o][r]).filter(function(o,r,e){return!!(null!=n&&n!=o.tag||null!=t&&t!=o.priority)}),gform.hooks[o][r]=e)}});\n<\/script>\n\n                <div class='gf_browser_gecko gform_wrapper gravity-theme gform-theme--no-framework' data-form-theme='gravity-theme' data-form-index='0' id='gform_wrapper_20' >\n                        <div class='gform_heading'>\n                            <h2 class=\"gform_title\">SLUSCHI + Universal Machine-Learning Interatomic Potentials<\/h2>\n                            <p class='gform_description'>Submit a crystal structure to estimate melting behavior using the SLUSCHI framework with universal machine-learning interatomic potentials (uMLIP). You may enter a Materials Project ID or paste POSCAR content directly.<\/p>\n                        <\/div><form method='post' enctype='multipart\/form-data'  id='gform_20'  action='\/hong\/wp-json\/wp\/v2\/pages\/1472' data-formid='20' novalidate>\n                        <div class='gform-body gform_body'><div id='gform_fields_20' class='gform_fields top_label form_sublabel_below description_below validation_below'><div id=\"field_20_9\" class=\"gfield gfield--type-text gfield--input-type-text gfield--width-half field_sublabel_below gfield--has-description field_description_below field_validation_below gfield_visibility_visible\"  ><label class='gfield_label gform-field-label' for='input_20_9'>Enter a Materials Project ID<\/label><div class='ginput_container ginput_container_text'><input name='input_9' id='input_20_9' type='text' value='' class='large'  aria-describedby=\"gfield_description_20_9\"    aria-invalid=\"false\"   \/><\/div><div class='gfield_description' id='gfield_description_20_9'>Example: mp-21075 or 21075. If provided, this will be used instead of pasted POSCAR content.<\/div><\/div><div id=\"field_20_12\" class=\"gfield gfield--type-textarea gfield--input-type-textarea gfield--width-full field_sublabel_below gfield--has-description field_description_below field_validation_below gfield_visibility_visible\"  ><label class='gfield_label gform-field-label' for='input_20_12'>Or paste POSCAR content (VASP 5 or later). Element symbols must be included in the POSCAR header.<\/label><div class='ginput_container ginput_container_textarea'><textarea name='input_12' id='input_20_12' class='textarea large'  aria-describedby=\"gfield_description_20_12\"    aria-invalid=\"false\"   rows='10' cols='50'>POSCAR\n1.0\n   5.0901454116044738    0.0000000000000000    0.0000000000000003\n  -0.0000000000000003    5.0901454116044738    0.0000000000000003\n   0.0000000000000000    0.0000000000000000    5.0901454116044738\nZr O\n4 8\ndirect\n   0.0000000000000000    0.0000000000000000    0.0000000000000000 Zr4+\n   0.0000000000000000    0.5000000000000000    0.5000000000000000 Zr4+\n   0.5000000000000000    0.0000000000000000    0.5000000000000000 Zr4+\n   0.5000000000000000    0.5000000000000000    0.0000000000000000 Zr4+\n   0.7500000000000000    0.2500000000000000    0.7500000000000000 O2-\n   0.7500000000000000    0.7500000000000000    0.7500000000000000 O2-\n   0.7500000000000000    0.7500000000000000    0.2500000000000000 O2-\n   0.7500000000000000    0.2500000000000000    0.2500000000000000 O2-\n   0.2500000000000000    0.2500000000000000    0.2500000000000000 O2-\n   0.2500000000000000    0.7500000000000000    0.2500000000000000 O2-\n   0.2500000000000000    0.7500000000000000    0.7500000000000000 O2-\n   0.2500000000000000    0.2500000000000000    0.7500000000000000 O2-\n<\/textarea><\/div><div class='gfield_description' id='gfield_description_20_12'>This POSCAR is used only when the Materials Project ID field is blank. If a Materials Project ID is entered, it overrides this POSCAR content.<\/div><\/div><fieldset id=\"field_20_10\" class=\"gfield gfield--type-checkbox gfield--type-choice gfield--input-type-checkbox gfield--width-full field_sublabel_below gfield--has-description field_description_below field_validation_below gfield_visibility_visible\"  ><legend class='gfield_label gform-field-label gfield_label_before_complex' >Choose one universal Machine Learning Interatomic Potential<\/legend><div class='ginput_container ginput_container_checkbox'><div class='gfield_checkbox ' id='input_20_10'><div class='gchoice gchoice_20_10_1'>\n\t\t\t\t\t\t\t\t<input class='gfield-choice-input' name='input_10.1' type='checkbox'  value='Allegro-OAM-L'  id='choice_20_10_1'   aria-describedby=\"gfield_description_20_10\"\/>\n\t\t\t\t\t\t\t\t<label for='choice_20_10_1' id='label_20_10_1' class='gform-field-label gform-field-label--type-inline'>Allegro-OAM-L<\/label>\n\t\t\t\t\t\t\t<\/div><div class='gchoice gchoice_20_10_2'>\n\t\t\t\t\t\t\t\t<input class='gfield-choice-input' name='input_10.2' type='checkbox'  value='mace-mpa-0-medium'  id='choice_20_10_2'   \/>\n\t\t\t\t\t\t\t\t<label for='choice_20_10_2' id='label_20_10_2' class='gform-field-label gform-field-label--type-inline'>mace-mpa-0-medium<\/label>\n\t\t\t\t\t\t\t<\/div><div class='gchoice gchoice_20_10_3'>\n\t\t\t\t\t\t\t\t<input class='gfield-choice-input' name='input_10.3' type='checkbox'  value='DPA-3.2-5M-OMat24'  id='choice_20_10_3'   \/>\n\t\t\t\t\t\t\t\t<label for='choice_20_10_3' id='label_20_10_3' class='gform-field-label gform-field-label--type-inline'>DPA-3.2-5M-OMat24<\/label>\n\t\t\t\t\t\t\t<\/div><\/div><\/div><div class='gfield_description' id='gfield_description_20_10'>We recommend Allegro for both speed and accuracy.<\/div><\/fieldset><div id=\"field_20_13\" class=\"gfield gfield--type-text gfield--input-type-text gfield_contains_required field_sublabel_below gfield--no-description field_description_below field_validation_below gfield_visibility_visible\"  ><label class='gfield_label gform-field-label' for='input_20_13'>Email (Required for verification)<span class=\"gfield_required\"><span class=\"gfield_required gfield_required_text\">(Required)<\/span><\/span><\/label><div class='ginput_container ginput_container_text'><input name='input_13' id='input_20_13' type='text' value='' class='large'     aria-required=\"true\" aria-invalid=\"false\"   \/><\/div><\/div><\/div><\/div>\n        <div class='gform-footer gform_footer top_label'> <input type='submit' id='gform_submit_button_20' class='gform_button button' onclick='gform.submission.handleButtonClick(this);' data-submission-type='submit' value='Submit job'  \/> \n            <input type='hidden' class='gform_hidden' name='gform_submission_method' data-js='gform_submission_method_20' value='postback' \/>\n            <input type='hidden' class='gform_hidden' name='gform_theme' data-js='gform_theme_20' id='gform_theme_20' value='gravity-theme' \/>\n            <input type='hidden' class='gform_hidden' name='gform_style_settings' data-js='gform_style_settings_20' id='gform_style_settings_20' value='{&quot;inputPrimaryColor&quot;:&quot;#204ce5&quot;}' \/>\n            <input type='hidden' class='gform_hidden' name='is_submit_20' value='1' \/>\n            <input type='hidden' class='gform_hidden' name='gform_submit' value='20' \/>\n            \n            <input type='hidden' class='gform_hidden' name='gform_currency' data-currency='USD' value='sHFKT1QoyciOwClnh2GhUVUr7MhU12Ex3CJlmDy0kRBIj0O4VlJGfOS3+tsA5Pp41nZkHrKnwOFoy5ibiZ1s4Z8DoYRvhM9YilNeARPM1M0d9TQ=' \/>\n            <input type='hidden' class='gform_hidden' name='gform_unique_id' value='' \/>\n            <input type='hidden' class='gform_hidden' name='state_20' value='WyJ7XCIxMC4xXCI6XCI4YTcyYjQzNmVkZjY3MmZkZGI0NTU3NzI4MmE5ZDA5ZVwiLFwiMTAuMlwiOlwiZWQ3Nzk1MDQ5NGFmNDQ0YTMxNDgwNjgwZTU4MTI0NmNcIixcIjEwLjNcIjpcIjZhYmFkNDgwYWQyMDhmYzZlM2IxODNmMzJjNDQ2N2VjXCJ9IiwiMjQ0YjU0NDQ5MGQ3ODVmZDQwZmVkYTA2NTJlMzZhZjYiXQ==' \/>\n            <input type='hidden' autocomplete='off' class='gform_hidden' name='gform_target_page_number_20' id='gform_target_page_number_20' value='0' \/>\n            <input type='hidden' autocomplete='off' class='gform_hidden' name='gform_source_page_number_20' id='gform_source_page_number_20' value='1' \/>\n            <input type='hidden' name='gform_field_values' value='' \/>\n            \n        <\/div>\n                        <\/form>\n                        <\/div><script>\ngform.initializeOnLoaded( function() {gformInitSpinner( 20, 'https:\/\/faculty.engineering.asu.edu\/hong\/wp-content\/plugins\/gravityforms\/images\/spinner.svg', true );jQuery('#gform_ajax_frame_20').on('load',function(){var contents = jQuery(this).contents().find('*').html();var is_postback = contents.indexOf('GF_AJAX_POSTBACK') >= 0;if(!is_postback){return;}var form_content = jQuery(this).contents().find('#gform_wrapper_20');var is_confirmation = jQuery(this).contents().find('#gform_confirmation_wrapper_20').length > 0;var is_redirect = contents.indexOf('gformRedirect(){') >= 0;var is_form = form_content.length > 0 && ! is_redirect && ! is_confirmation;var mt = parseInt(jQuery('html').css('margin-top'), 10) + parseInt(jQuery('body').css('margin-top'), 10) + 100;if(is_form){jQuery('#gform_wrapper_20').html(form_content.html());if(form_content.hasClass('gform_validation_error')){jQuery('#gform_wrapper_20').addClass('gform_validation_error');} else {jQuery('#gform_wrapper_20').removeClass('gform_validation_error');}setTimeout( function() { \/* delay the scroll by 50 milliseconds to fix a bug in chrome *\/  }, 50 );if(window['gformInitDatepicker']) {gformInitDatepicker();}if(window['gformInitPriceFields']) {gformInitPriceFields();}var current_page = jQuery('#gform_source_page_number_20').val();gformInitSpinner( 20, 'https:\/\/faculty.engineering.asu.edu\/hong\/wp-content\/plugins\/gravityforms\/images\/spinner.svg', true );jQuery(document).trigger('gform_page_loaded', [20, current_page]);window['gf_submitting_20'] = false;}else if(!is_redirect){var confirmation_content = jQuery(this).contents().find('.GF_AJAX_POSTBACK').html();if(!confirmation_content){confirmation_content = contents;}jQuery('#gform_wrapper_20').replaceWith(confirmation_content);jQuery(document).trigger('gform_confirmation_loaded', [20]);window['gf_submitting_20'] = false;wp.a11y.speak(jQuery('#gform_confirmation_message_20').text());}else{jQuery('#gform_20').append(contents);if(window['gformRedirect']) {gformRedirect();}}jQuery(document).trigger(\"gform_pre_post_render\", [{ formId: \"20\", currentPage: \"current_page\", abort: function() { this.preventDefault(); } }]);        if (event && event.defaultPrevented) {                return;        }        const gformWrapperDiv = document.getElementById( \"gform_wrapper_20\" );        if ( gformWrapperDiv ) {            const visibilitySpan = document.createElement( \"span\" );            visibilitySpan.id = \"gform_visibility_test_20\";            gformWrapperDiv.insertAdjacentElement( \"afterend\", visibilitySpan );        }        const visibilityTestDiv = document.getElementById( \"gform_visibility_test_20\" );        let postRenderFired = false;        function triggerPostRender() {            if ( postRenderFired ) {                return;            }            postRenderFired = true;            gform.core.triggerPostRenderEvents( 20, current_page );            if ( visibilityTestDiv ) {                visibilityTestDiv.parentNode.removeChild( visibilityTestDiv );            }        }        function debounce( func, wait, immediate ) {            var timeout;            return function() {                var context = this, args = arguments;                var later = function() {                    timeout = null;                    if ( !immediate ) func.apply( context, args );                };                var callNow = immediate && !timeout;                clearTimeout( timeout );                timeout = setTimeout( later, wait );                if ( callNow ) func.apply( context, args );            };        }        const debouncedTriggerPostRender = debounce( function() {            triggerPostRender();        }, 200 );        if ( visibilityTestDiv && visibilityTestDiv.offsetParent === null ) {            const observer = new MutationObserver( ( mutations ) => {                mutations.forEach( ( mutation ) => {                    if ( mutation.type === 'attributes' && visibilityTestDiv.offsetParent !== null ) {                        debouncedTriggerPostRender();                        observer.disconnect();                    }                });            });            observer.observe( document.body, {                attributes: true,                childList: false,                subtree: true,                attributeFilter: [ 'style', 'class' ],            });        } else {            triggerPostRender();        }    } );} );\n<\/script>\n\n<\/div>\n\n\n<div style=\"\n    margin: 12px 0 20px 0;\n    padding: 12px 16px;\n    background: #eef6ff;\n    border: 1px solid #c8ddff;\n    border-radius: 8px;\n\">\n  <strong>Avoid duplicate calculations.<\/strong>\n  Before submitting a new SLUSCHI-UP job, please search the\n  <a href=\"https:\/\/jobs.sluschi-mapp.org\/meltbench#table\">MeltBench benchmark table<\/a>\n  or download the\n  <a href=\"https:\/\/jobs.sluschi-mapp.org\/meltbench.csv\">MeltBench CSV dataset<\/a>\n  to check whether the material has already been studied. Reusing existing results helps conserve community GPU resources and reduces unnecessary duplicate calculations.\n<\/div>\n\n\n<p class=\"mt-2 text-gray-600\">\n  Not sure which uMLIP to choose? Visit <a href=\"https:\/\/jobs.sluschi-mapp.org\/meltbench\">MeltBench<\/a> for performance comparisons.\n<\/p>\n<p>Jobs are GPU-intensive and are processed in a shared queue. A typical job may take 12\u201324 hours. Email verification is required before your job enters the queue.<\/p>\n<p>Already submitted a job?  <a href=\"https:\/\/jobs.sluschi-mapp.org\/jobs\"> Check job status<\/a>. <\/p>\n\n\n\n<p><strong>Cite this work: <\/strong><\/p>\n<p><strong>SLUSCHI-UP: <\/strong>\nQ.-J. Hong,\n  SLUSCHI-UP: A Web Infrastructure for SLUSCHI Melting-Temperature Calculations Using Universal Machine-Learning Interatomic Potentials,\n  arXiv:2606.04973, 2026. <a href=\"https:\/\/doi.org\/10.48550\/arXiv.2606.04973\"> Download<\/a> <br>\n  A. Campbell, L. Wang, and Q.-J. Hong,\n  Accelerating melting temperature predictions by leveraging LASP machine learning potentials in the SLUSCHI package,\n  <em>Journal of the American Ceramic Society<\/em> <strong>109<\/strong> (1), e70398, 2025. <a href=\"https:\/\/doi.org\/10.1111\/jace.70398\"> Download<\/a>\n<\/p>\n<p><strong>SLUSCHI: <\/strong>Qi-Jun Hong and Axel van de Walle, A user guide for SLUSCHI: solid and liquid in ultra small coexistence with hovering interfaces, Calphad, <strong>52<\/strong>, 88-97, 2016. <a href=\"https:\/\/doi.org\/10.1016\/j.calphad.2015.12.003\"> Download<\/a>. <\/p>\n<p>\n  <strong>Small-cell Coexistence: <\/strong>\n  Q.-J. Hong and A. van de Walle,\n  Solid-liquid coexistence in small systems: A statistical method to calculate melting temperatures,\n  <em>The Journal of Chemical Physics<\/em> <strong>139<\/strong> (9), 094114, 2012.<a href=\"https:\/\/doi.org\/10.1063\/1.4819792\"> Download<\/a>\n<\/p>\n\n\n\n<p>This model is currently deployed at the Research Computing facilities at ASU.<\/p>\n<p>Download SLUSCHI source code (DFT version with interface to VASP) from GitHub <a href=\"https:\/\/github.com\/qjhong\/SLUSCHI\"> here<\/a>. <\/p>\n\n<p><strong>Financial Support <\/strong><\/p>\n<p>The development of mds and diffusion in sluschi was supported by the DOE under program DE-SC0024724.<\/p>\n<p>The development of asdf and csp in sluschi was supported by the DOD ARO under program W911NF-23-2-0145.<\/p>\n<p>The development of the original sluschi-coexistence method was supported by the DOD ONR under program N00014-12-1-0196 and N00014-14-1-0055, under Axel van de Walle.<\/p>\n\n<h2 class=\"text-2xl font-semibold mt-6\">SLUSCHI-MAPP Prediction Modes<\/h2>\n\n<div class=\"overflow-x-auto mt-4\">\n  <table class=\"min-w-full border border-gray-200 rounded-xl overflow-hidden\">\n    <thead class=\"bg-gray-50\">\n      <tr>\n        <th class=\"px-4 py-3 text-left font-semibold border-b\">Mode<\/th>\n        <th class=\"px-4 py-3 text-left font-semibold border-b\">Speed<\/th>\n        <th class=\"px-4 py-3 text-left font-semibold border-b\">Accuracy<\/th>\n        <th class=\"px-4 py-3 text-left font-semibold border-b\">Method<\/th>\n      <\/tr>\n    <\/thead>\n    <tbody>\n      <tr class=\"odd:bg-white even:bg-gray-50\">\n        <td class=\"px-4 py-3 border-b\">Instant<\/td>\n        <td class=\"px-4 py-3 border-b\">Seconds<\/td>\n        <td class=\"px-4 py-3 border-b\">Moderate<\/td>\n        <td class=\"px-4 py-3 border-b\"> <a href=\"https:\/\/faculty.engineering.asu.edu\/hong\/melting-temperature-predictor\/\">MAPP GNN<\/a><\/td>\n      <\/tr>\n      <tr class=\"odd:bg-white even:bg-gray-50\">\n        <td class=\"px-4 py-3 border-b\">Standard<\/td>\n        <td class=\"px-4 py-3 border-b\">~24 hr<\/td>\n        <td class=\"px-4 py-3 border-b\">High<\/td>\n        <td class=\"px-4 py-3 border-b\"><a href=\"https:\/\/faculty.engineering.asu.edu\/hong\/sluschi-up\/\">SLUSCHI-UP + DFT correction <\/a><\/td>\n      <\/tr>\n      <tr class=\"odd:bg-white even:bg-gray-50\">\n        <td class=\"px-4 py-3\">Benchmark<\/td>\n        <td class=\"px-4 py-3\">Days\u2013weeks<\/td>\n        <td class=\"px-4 py-3\">Highest<\/td>\n        <td class=\"px-4 py-3\"><a href=\"https:\/\/faculty.engineering.asu.edu\/hong\/sluschi-2\/\">Full DFT SLUSCHI<\/a><\/td>\n      <\/tr>\n    <\/tbody>\n  <\/table>\n<\/div>\n\n\t<\/div>\n\n<\/div>\n\n<\/div>\n\n\n\n<p class=\"wp-block-paragraph\"><\/p>\n","protected":false},"excerpt":{"rendered":"","protected":false},"author":149,"featured_media":0,"parent":0,"menu_order":3,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_acf_changed":false,"footnotes":""},"class_list":["post-1472","page","type-page","status-publish","hentry"],"uds_featured_image":null,"acf":[],"_links":{"self":[{"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/pages\/1472","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/users\/149"}],"replies":[{"embeddable":true,"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/comments?post=1472"}],"version-history":[{"count":9,"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/pages\/1472\/revisions"}],"predecessor-version":[{"id":1535,"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/pages\/1472\/revisions\/1535"}],"wp:attachment":[{"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/media?parent=1472"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}