{"id":1410,"date":"2026-01-20T15:04:03","date_gmt":"2026-01-20T22:04:03","guid":{"rendered":"https:\/\/faculty.engineering.asu.edu\/hong\/?page_id=1410"},"modified":"2026-03-13T13:50:42","modified_gmt":"2026-03-13T20:50:42","slug":"sluschi-api","status":"publish","type":"page","link":"https:\/\/faculty.engineering.asu.edu\/hong\/sluschi-api\/","title":{"rendered":"SLUSCHI API"},"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_17' >\n                        <div class='gform_heading'>\n                            <h2 class=\"gform_title\">SLUSCHI Online Analysis Portal<\/h2>\n                            <p class='gform_description'>Provide a public link to your molecular dynamics output files to compute materials properties using the SLUSCHI framework. SLUSCHI automatically retrieves your molecular dynamics output files, runs validated analysis workflows (diffusion, entropy, bond valence), and returns plots and numerical results directly in your browser, with no local installation required.<\/p>\n                        <\/div><form method='post' enctype='multipart\/form-data'  id='gform_17'  action='\/hong\/wp-json\/wp\/v2\/pages\/1410' data-formid='17' novalidate>\n                        <div class='gform-body gform_body'><div id='gform_fields_17' class='gform_fields top_label form_sublabel_below description_below validation_below'><div id=\"field_17_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_17_9'>Enter a Google Drive (or Dropbox) link to OUTCAR<\/label><div class='ginput_container ginput_container_text'><input name='input_9' id='input_17_9' type='text' value='https:\/\/drive.google.com\/file\/d\/1MwleYDiwKEsfmd8Q7FvX72hsaqo797Pr\/view?usp=share_link' class='large'  aria-describedby=\"gfield_description_17_9\"    aria-invalid=\"false\"   \/><\/div><div class='gfield_description' id='gfield_description_17_9'>Try https:\/\/drive.google.com\/file\/d\/1NLlVKTpWDo92NgnFapm1rk-N9yB_-6u3\/view?usp=share_link or see below for a list of examples<\/div><\/div><fieldset id=\"field_17_10\" class=\"gfield gfield--type-checkbox gfield--type-choice gfield--input-type-checkbox field_sublabel_below gfield--no-description field_description_below field_validation_below gfield_visibility_visible\"  ><legend class='gfield_label gform-field-label gfield_label_before_complex' >Choose one property<\/legend><div class='ginput_container ginput_container_checkbox'><div class='gfield_checkbox ' id='input_17_10'><div class='gchoice gchoice_17_10_1'>\n\t\t\t\t\t\t\t\t<input class='gfield-choice-input' name='input_10.1' type='checkbox'  value='diffusion'  id='choice_17_10_1'   \/>\n\t\t\t\t\t\t\t\t<label for='choice_17_10_1' id='label_17_10_1' class='gform-field-label gform-field-label--type-inline'>diffusion<\/label>\n\t\t\t\t\t\t\t<\/div><div class='gchoice gchoice_17_10_2'>\n\t\t\t\t\t\t\t\t<input class='gfield-choice-input' name='input_10.2' type='checkbox'  value='mds (total entropy: configurational + vibrational + electronic)'  id='choice_17_10_2'   \/>\n\t\t\t\t\t\t\t\t<label for='choice_17_10_2' id='label_17_10_2' class='gform-field-label gform-field-label--type-inline'>mds (total entropy: configurational + vibrational + electronic)<\/label>\n\t\t\t\t\t\t\t<\/div><div class='gchoice gchoice_17_10_3'>\n\t\t\t\t\t\t\t\t<input class='gfield-choice-input' name='input_10.3' type='checkbox'  value='asdf (information entropy)'  id='choice_17_10_3'   \/>\n\t\t\t\t\t\t\t\t<label for='choice_17_10_3' id='label_17_10_3' class='gform-field-label gform-field-label--type-inline'>asdf (information entropy)<\/label>\n\t\t\t\t\t\t\t<\/div><\/div><\/div><\/fieldset><\/div><\/div>\n        <div class='gform-footer gform_footer top_label'> <input type='submit' id='gform_submit_button_17' class='gform_button button' onclick='gform.submission.handleButtonClick(this);' data-submission-type='submit' value='Compute'  \/> \n            <input type='hidden' class='gform_hidden' name='gform_submission_method' data-js='gform_submission_method_17' value='postback' \/>\n            <input type='hidden' class='gform_hidden' name='gform_theme' data-js='gform_theme_17' id='gform_theme_17' value='gravity-theme' \/>\n            <input type='hidden' class='gform_hidden' name='gform_style_settings' data-js='gform_style_settings_17' id='gform_style_settings_17' value='[]' \/>\n            <input type='hidden' class='gform_hidden' name='is_submit_17' value='1' \/>\n            <input type='hidden' class='gform_hidden' name='gform_submit' value='17' \/>\n            \n            <input type='hidden' class='gform_hidden' name='gform_currency' data-currency='USD' value='MFx7Wk+DzhZ+boYqLJsewXRTdtFk9njPIxMsFfheIZ1Zysy1BmlumXPIemEnOlWb38d0Qgd1CJBFq4Bqspl7qpOS0sIQv3aftBhPR3t0n7fRcl0=' \/>\n            <input type='hidden' class='gform_hidden' name='gform_unique_id' value='' \/>\n            <input type='hidden' class='gform_hidden' name='state_17' value='WyJ7XCIxMC4xXCI6XCJkMTBiZWVjODc1OGZmNjljMjg5NDQxZjJlMDcyY2EyNlwiLFwiMTAuMlwiOlwiNDVlNGNlNDY4MTMwZmZiZjlkYTc0YWExOTAxMTIyMTBcIixcIjEwLjNcIjpcIjEzYjY3YjE4ZWJmYjVkZjA2MWQ3OGEzMjk2N2YyYjE4XCJ9IiwiMjNiODU3MGIxYzIxNWRlNGI1YjI4NDVjYjY3Y2U5ZGUiXQ==' \/>\n            <input type='hidden' autocomplete='off' class='gform_hidden' name='gform_target_page_number_17' id='gform_target_page_number_17' value='0' \/>\n            <input type='hidden' autocomplete='off' class='gform_hidden' name='gform_source_page_number_17' id='gform_source_page_number_17' value='1' \/>\n            <input type='hidden' name='gform_field_values' value='' \/>\n            \n        <\/div>\n                        <\/form>\n                        <\/div><script>\ngform.initializeOnLoaded( function() {gformInitSpinner( 17, 'https:\/\/faculty.engineering.asu.edu\/hong\/wp-content\/plugins\/gravityforms\/images\/spinner.svg', true );jQuery('#gform_ajax_frame_17').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_17');var is_confirmation = jQuery(this).contents().find('#gform_confirmation_wrapper_17').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_17').html(form_content.html());if(form_content.hasClass('gform_validation_error')){jQuery('#gform_wrapper_17').addClass('gform_validation_error');} else {jQuery('#gform_wrapper_17').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_17').val();gformInitSpinner( 17, 'https:\/\/faculty.engineering.asu.edu\/hong\/wp-content\/plugins\/gravityforms\/images\/spinner.svg', true );jQuery(document).trigger('gform_page_loaded', [17, current_page]);window['gf_submitting_17'] = 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_17').replaceWith(confirmation_content);jQuery(document).trigger('gform_confirmation_loaded', [17]);window['gf_submitting_17'] = false;wp.a11y.speak(jQuery('#gform_confirmation_message_17').text());}else{jQuery('#gform_17').append(contents);if(window['gformRedirect']) {gformRedirect();}}jQuery(document).trigger(\"gform_pre_post_render\", [{ formId: \"17\", currentPage: \"current_page\", abort: function() { this.preventDefault(); } }]);        if (event && event.defaultPrevented) {                return;        }        const gformWrapperDiv = document.getElementById( \"gform_wrapper_17\" );        if ( gformWrapperDiv ) {            const visibilitySpan = document.createElement( \"span\" );            visibilitySpan.id = \"gform_visibility_test_17\";            gformWrapperDiv.insertAdjacentElement( \"afterend\", visibilitySpan );        }        const visibilityTestDiv = document.getElementById( \"gform_visibility_test_17\" );        let postRenderFired = false;        function triggerPostRender() {            if ( postRenderFired ) {                return;            }            postRenderFired = true;            gform.core.triggerPostRenderEvents( 17, 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\n<p>File must be publicly accessible (\u201cAnyone with link\u201d) <\/p>\n<p>Files are downloaded only for analysis on the server; results are not indexed or shared.<\/p>\n<p>Typical runtime: ~1\u20132 minutes (diffusion), ~2\u20134 minutes (mds or asdf)<\/p>\n\n\n\n<p><strong>Analysis options<\/strong><\/p>\n<p><strong>Diffusion: <\/strong>Tracer diffusivities from MD trajectories<\/p>\n<p><strong>MDS (entropy): <\/strong>Configurational, vibrational, and electronic entropies, and phonon density of states from MD<\/p>\n<p><strong>ASDF (entropy): <\/strong>Combined configurational and vibrational entropies as information entropy from MD<\/p>\n\n\n\n<p><strong>Cite this work: <\/strong><\/p>\n<p><strong>Diffusion: <\/strong>Qi-Jun Hong et al., Extending SLUSCHI for Automated Diffusion Calculations, Calphad, 2026. <a href=\"https:\/\/doi.org\/10.1016\/j.calphad.2026.102923\"> Download<\/a>. <\/p>\n<p><strong>MDS: <\/strong>Qi-Jun Hong and Zi-Kui Liu, Generalized approach for rapid entropy calculation of liquids and solids, Phy. Rev. Research, 2025. <a href=\"https:\/\/doi.org\/10.1103\/PhysRevResearch.7.L012030\"> Download<\/a>. <\/p>\n<p><strong>ASDF: <\/strong>Dallin Fisher and Qi-Jun Hong, Thermodynamic Entropy as Information &#8212; A compression-based demonstration of the Shannon-Boltzmann equivalence in condensed matter, arXiv, 2025. <a href=\"https:\/\/doi.org\/10.48550\/arXiv.2512.02221\"> Download<\/a>. <\/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, 2016. <a href=\"https:\/\/doi.org\/10.1016\/j.calphad.2015.12.003\"> Download<\/a>. <\/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 from GitHub <a href=\"https:\/\/github.com\/qjhong\/SLUSCHI\"> here<\/a>. <\/p>\n\n<p><strong>Examples <\/strong><\/p>\n<p>Example 1: Al, 1000 K, liquid, 186 atoms, https:\/\/drive.google.com\/file\/d\/1MwleYDiwKEsfmd8Q7FvX72hsaqo797Pr\/view?usp=share_link<\/p>\n<p>Example 2: Al, 1000 K, solid, 186 atoms, https:\/\/drive.google.com\/file\/d\/1iuvGF-uhY5rBzagEcTFL5eocaBve9Uhp\/view?usp=share_link<\/p>\n<p>Example 3: LLZO, 1500 K, solid, 186 atoms, https:\/\/drive.google.com\/file\/d\/1NLlVKTpWDo92NgnFapm1rk-N9yB_-6u3\/view?usp=share_link<\/p>\n<p>More than 100 MD trajectories available in this Dropbox folder: https:\/\/www.dropbox.com\/scl\/fo\/ggxxf0eqo0s0swe7y5vgx\/AMtPhG3mytCESb07ZiuhZmI?rlkey=neixgtgsa1a6fvs4npq2cql0h&#038;st=put4y864&#038;dl=0\n<\/p>\n\n<p><strong>Financial Support <\/strong><\/p>\n<p>The development of mds and diffusion was supported by the DOE under program DE-SC0024724.<\/p>\n<p>The development of asdf 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.<\/p>\n\n\n\t<\/div>\n\n<\/div>\n\n<\/div>\n","protected":false},"excerpt":{"rendered":"","protected":false},"author":149,"featured_media":0,"parent":0,"menu_order":6,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_acf_changed":false,"footnotes":""},"class_list":["post-1410","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\/1410","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=1410"}],"version-history":[{"count":0,"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/pages\/1410\/revisions"}],"wp:attachment":[{"href":"https:\/\/faculty.engineering.asu.edu\/hong\/wp-json\/wp\/v2\/media?parent=1410"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}