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Dear QE-Developer or user:
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<div class="">If you are going to ACS meeting in New Orleans Please take a look at this <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__sciencegateways.org_-2D_free-2Damerican-2Dchemical-2Dsociety-2Dacs-2Dworkshop-2Don-2Dscience-2Dgateways-3FinheritRedirect-3Dtrue-26redirect-3D_community_news&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=MBjrsNUtcnRwLpOOlp1J0kYSJXtjWqdf7G5GLaWe7io&e=" class="">https://sciencegateways.org/-/free-american-chemical-society-acs-workshop-on-science-gateways?inheritRedirect=true&redirect=%2Fcommunity%2Fnews</a></div>
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<span class="" style="color: rgb(85, 85, 85);">We SGCI, along with MolSSI, Software Institutes funded by NSF are offering a free workshop for molecular scientists at the upcoming American Chemical Society (ACS) National Meeting and Expo. Please share the announcement
below with those who might be interested. We have some QE specific application talks in the workshop. Sorry if you have received this already.</span></h3>
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<div class=""><span class="" style="font-size: 14px;">Thanks,</span></div>
<div class=""><span class="" style="font-size: 14px;">Sudhakar.</span></div>
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<span class="" style="box-sizing: inherit;">Free American Chemical Society (ACS) Workshop on Science Gateways</span></h3>
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<span class="" style="box-sizing: inherit;"><a class=" taglib-icon" id="_101_INSTANCE_2BOFLT87ou9B_rjus_column2_0" style="box-sizing: inherit; color: rgb(0, 102, 204);"><img id="rjus_column2_0" src="https://sciencegateways.org/sciencegateways-theme/images/spacer.png" alt="" class="" style="box-sizing: inherit; border: 0px; vertical-align: middle; max-width: 100%; height: 16px; background-image: url(https://sciencegateways.org/sciencegateways-theme/sprite/images/common/_sprite.png); width: 16px; background-position: 50% -1238px; background-repeat: no-repeat no-repeat;"> <span class=" taglib-text" style="box-sizing: inherit;">Print<span class="hide-accessible" style="box-sizing: inherit; transform: scale(0); transform-origin-x: 0px; transform-origin-y: 0px; clip: rect(0px, 0px, 0px, 0px) !important; position: absolute !important;">Free
American Chemical Society (ACS) Workshop on Science Gateways</span></span></a></span></div>
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<a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__goo.gl_forms_m3KDJom4f9EPnEiu2&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=YWP27pO9BPcfS6BlGiuDUIGextl0GTRJTmcA3FDHSLU&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none; background-image: none; background-size: 2px 0.1em; background-position: 0px 1.2em; background-repeat: repeat no-repeat;"><img alt="" src="https://sciencegateways.org/documents/20182/23538/REGISTER+NOW+larger.png/954e21c5-2084-4af5-9b92-b461a7f04ef1?t=1517512996385" class="" style="box-sizing: inherit; border: 0px; vertical-align: middle; max-width: 100%; height: auto;"></a></p>
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Free Workshop on Science Gateways* for Molecular Scientists<br class="" style="box-sizing: inherit;">
<strong class="" style="box-sizing: inherit; font-size: 16px;"><img alt="" src="https://sciencegateways.org/documents/20182/23538/HiltonRiversideNewOrleans.jpg/debb6aed-00d7-4936-b36b-9edc08491ac0?t=1518033554970" class="" style="box-sizing: inherit; border: 0px; vertical-align: middle; max-width: 100%; height: 259px; width: 400px; margin: 10px; float: right;"></strong></h3>
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<strong class="" style="box-sizing: inherit; font-size: 16px; color: rgb(85, 85, 85);">When:</strong><span class="" style="box-sizing: inherit; font-size: 16px; color: rgb(85, 85, 85);"> </span><a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__www.acs.org_content_acs_en_meetings_national-2Dmeeting.html&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=k4yLIGZEjClyAeLNog3kJrHXHDm0OqrGA21jMQTvylQ&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none; font-size: 16px;">ACS
National Meeting and Expo</a><span class="" style="box-sizing: inherit; font-size: 16px; color: rgb(85, 85, 85);">, Tuesday, March 20, 2018, 8 am - 5 pm</span></h3>
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<span class="" style="box-sizing: inherit; font-size: 16px;"><strong class="" style="box-sizing: inherit;">Where:</strong> Chart A Room, Hilton New Orleans Riverside, 2 Poydras St, New Orleans, LA 70130</span></p>
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<span class="" style="box-sizing: inherit; font-size: 16px;"><strong class="" style="box-sizing: inherit;">For Who: </strong>Those interested in expanding what they can do through the use or creation of science gateways for molecular modeling, simulations and
analysis, and data-driven discovery.</span></p>
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<span class="" style="box-sizing: inherit; font-size: 16px;"><strong class="" style="box-sizing: inherit;">By Whom: </strong>Science Gateways Community Institute (<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.sciencegateways.org_about&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=3MB3oRgMH9MHgZDhEMeuc5bgraNGA-g0n8VdrjSxuYw&e=" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none;">SGCI</a>)
and Molecular Sciences Software Institute (<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.molssi.org_&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=yMYCXytXbzUyfm2Atet85xLGxvY2CKCKa0wMvsTAuQs&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none;">MolSSI</a>)</span></p>
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*Science gateways are Web-based mechanisms for delivering scientific software as a service and for enabling scientific collaborations. Here are a few of the many examples in the molecular science community: <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__zhanglab.ccmb.med.umich.edu_I-2DTASSER_&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=TY0_svdMBfq3BU02kF_zLo4pLRcgDtHgCZlRayXDpPo&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none; background-image: none; background-size: 2px 0.1em; background-position: 0px 1.2em; background-repeat: repeat no-repeat;">I-TASSER</a>, <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.pharmahub.org_&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=OuB9Rt9k6k_LuzhUaIu8cIqELa7X1BOpBeos7QLbYOY&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none; background-image: none; background-size: 2px 0.1em; background-position: 0px 1.2em; background-repeat: repeat no-repeat;">PharmaHub</a>, <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.robetta.org_&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=4_TUiXG_d-YoJAtLJnTqMxsiBucoxZbrAzPj8ICRr4w&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none; background-image: none; background-size: 2px 0.1em; background-position: 0px 1.2em; background-repeat: repeat no-repeat;">ROBETTA</a>, <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__seagrid.org_&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=6BlIbIYb9aqiPfQEdjY2pfoIpMNKoxt_PwFZ6DVagQI&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none; background-image: none; background-size: 2px 0.1em; background-position: 0px 1.2em; background-repeat: repeat no-repeat;">SEAGrid</a>, <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__materialsproject.org_&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=_KsqiMf5Hagiby3yFaAXMoVPx3nMKsen5wTYePjqDDg&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none; background-image: none; background-size: 2px 0.1em; background-position: 0px 1.2em; background-repeat: repeat no-repeat;">The
Materials Project</a>, <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__mmb.irbbarcelona.org_BIGNASim_&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=qkUnRLQWw68NaShhYRtMVLBqj1YTPrPtZO9JgWL80MQ&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none; background-image: none; background-size: 2px 0.1em; background-position: 0px 1.2em; background-repeat: repeat no-repeat;">BIGNASim</a>, <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__moldyngrid.org_main.php&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=HUzwMC_2NtrroOe-R2Q9Sm3VyAi-JUxOCQ_PkzmAYD4&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none; background-image: none; background-size: 2px 0.1em; background-position: 0px 1.2em; background-repeat: repeat no-repeat;">MolDynGrid</a>, <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__chemcompute.sonoma.edu_&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=b8SJGS6Xx1tPG7Fj36tZLSkmJ4sjwc8STE6YTzN61IE&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none; background-image: none; background-size: 2px 0.1em; background-position: 0px 1.2em; background-repeat: repeat no-repeat;">Chem
Compute</a>, <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__mosgrid.de_&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=sfrv_oT53VEl6JYPm85JILJHzINe687I4nQ2a75r16k&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none; background-image: none; background-size: 2px 0.1em; background-position: 0px 1.2em; background-repeat: repeat no-repeat;">MOSGrid</a>.
A subset of these will be featured at the workshop. </p>
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The goals for this workshop are to catalyze greater usage of science gateways and advanced cyberinfrastructure by the molecular science community, to identify new opportunities for science gateways to serve the community, and to initiate new collaborations
between scientists, software developers, and cyberinfrastructure providers. The workshop may be of particular interest to ACS attendees from the PHYS, COMP and INFO Divisions. A keynote will be given by Yang Zhang of <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__zhanglab.ccmb.med.umich.edu_I-2DTASSER_&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=TY0_svdMBfq3BU02kF_zLo4pLRcgDtHgCZlRayXDpPo&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none; background-image: none; background-size: 2px 0.1em; background-position: 0px 1.2em; background-repeat: repeat no-repeat;">I-TASSER</a>.
Other guest speakers include Joseph Montoya from Lawrence Berkeley National Laboratory who will discuss the <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__materialsproject.org_about&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=1GtT1qXIC55eJHO-88tix88s5Y6IYajNWNbxITWqIFI&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none; background-image: none; background-size: 2px 0.1em; background-position: 0px 1.2em; background-repeat: repeat no-repeat;">Materials
Project</a>, Mark Perri from Sonoma State University who will discuss <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__chemcompute.org_&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=fTAeefxQeQsZqyPuDZjo6TK3Oyodc6EgEWmi6EBg-UA&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none; background-image: none; background-size: 2px 0.1em; background-position: 0px 1.2em; background-repeat: repeat no-repeat;">Chem
Compute</a>, and Sudhakar Pamidighantam who will discuss and also give a tutorial of <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__seagrid.org_&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=6BlIbIYb9aqiPfQEdjY2pfoIpMNKoxt_PwFZ6DVagQI&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none; background-image: none; background-size: 2px 0.1em; background-position: 0px 1.2em; background-repeat: repeat no-repeat;">SEAGrid</a>.
Daniel Dumette from the University of Illinois will present results from his materials research performed thorough the GridChem/SEAGrid gateway.</p>
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The workshop will feature</p>
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<p dir="ltr" class="" style="box-sizing: inherit; margin: 0px 0px 10px;">Hands-on tutorials and demonstrations of science gateways for chemistry, material sciences, and related fields.</p>
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<p dir="ltr" class="" style="box-sizing: inherit; margin: 0px 0px 10px;">Overviews of technologies for building science gateways.</p>
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<p dir="ltr" class="" style="box-sizing: inherit; margin: 0px 0px 10px;">Presentations on SGCI, MolSSI, and how they can help create new gateways and new scientific software services for the ACS community.</p>
</li></ul>
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<strong class="" style="box-sizing: inherit;">Full Agenda of ACS Workshop on Science Gateways (all times listed in local Central Time)</strong></p>
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<td class="" style="box-sizing: inherit;">8:00 AM</td>
<td class="" style="box-sizing: inherit;">Welcome, Sudhakar Pamidighantam, Indiana University</td>
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<td class="" style="box-sizing: inherit;">8:15 AM</td>
<td class="" style="box-sizing: inherit;">Keynote, I-TASSER Protein Structure Prediction, Yang Zhang, University of Michigan</td>
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<td class="" style="box-sizing: inherit;">9:00 AM</td>
<td class="" style="box-sizing: inherit;">Science Gateways Community Institute (SGCI) Overview, Nancy Wilkins-Diehr, University of California, San Diego</td>
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<td class="" style="box-sizing: inherit;">9:20 AM</td>
<td class="" style="box-sizing: inherit;">Molecular Science Software Institute (MoLSSI) Overview, Paul Saxe, Virginia Tech</td>
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<td class="" style="box-sizing: inherit;">9:40 AM</td>
<td class="" style="box-sizing: inherit;">Break</td>
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<td class="" style="box-sizing: inherit;">10:00 AM</td>
<td class="" style="box-sizing: inherit;">SEAGrid Science Gateway, Sudhakar Pamidighantam, Indiana University</td>
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<td class="" style="box-sizing: inherit;">10:40 AM</td>
<td class="" style="box-sizing: inherit;">Science Exemplar—Photonic Systems, Daniel Dumette, University of Illinois</td>
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<td class="" style="box-sizing: inherit;">11:20 AM</td>
<td class="" style="box-sizing: inherit;">Chem Compute Educational gateway, Mark Perri, Sonoma State University</td>
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<td class="" style="box-sizing: inherit;">12:00 PM</td>
<td class="" style="box-sizing: inherit;">Lunch with Open Discussion (provided by SGCI & MolSSI)</td>
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<td class="" style="box-sizing: inherit;">1:00 PM</td>
<td class="" style="box-sizing: inherit;">Apache Airavata Open Source Framework, Marcus Christie, Indiana University</td>
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<td class="" style="box-sizing: inherit;">1:40 PM</td>
<td class="" style="box-sizing: inherit;">Materials Project, Joseph Montoya, University of California, Berkeley</td>
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<td class="" style="box-sizing: inherit;">2:20 PM</td>
<td class="" style="box-sizing: inherit;">Break</td>
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<td class="" style="box-sizing: inherit;">2:40 PM</td>
<td class="" style="box-sizing: inherit;">SEAGrid User Tutorial, Sudhakar Pamidighantam, Indiana University</td>
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<td class="" style="box-sizing: inherit;">3:30 PM</td>
<td class="" style="box-sizing: inherit;">Build a sample gateway using Apache Airavata Open Source Framework, Marcus Christie & Sudhakar Pamidighantam, Indiana University</td>
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<td class="" style="box-sizing: inherit;">4:20 PM</td>
<td class="" style="box-sizing: inherit;">Open Discussion and Conclusion</td>
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If you’d like to attend the workshop, please <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__goo.gl_forms_m3KDJom4f9EPnEiu2&d=DwMGaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=MHiqdWK8XhH0q9z3CNwPncJXwbe2U-jRufk9VnVTRww&m=hKiQ1Kxt6U-rQ8h23r02WTzyawRDhfedxPfqvELfkOY&s=YWP27pO9BPcfS6BlGiuDUIGextl0GTRJTmcA3FDHSLU&e=" target="_blank" class="" style="box-sizing: inherit; color: rgb(0, 102, 204); text-decoration: none;">complete
the registration form</a>. We can ensure space, breakfast, and lunch for the first 35 people to register.</h4>
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SGCI and MolSSI representatives will be available throughout the conference at booth 249.</h4>
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The SGCI and MolSSI are funded by the National Science Foundation.</h4>
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<img alt="" src="https://sciencegateways.org/documents/20182/20809/sgci-new-logo-words-below-black.png/5467268b-886c-4fa9-9a45-284f9d3d75b5?t=1493995683000" class="" style="box-sizing: inherit; border: 0px; vertical-align: middle; max-width: 100%; height: 62px; width: 100px;">
<img alt="" src="https://sciencegateways.org/documents/20182/24917/MolSSI-Logo-2.jpg/663cb151-d71c-481d-834e-1263048293bc?t=1518028324227" class="" style="box-sizing: inherit; border: 0px; vertical-align: middle; max-width: 100%; height: 82px; width: 125px;">
<img alt="" src="https://sciencegateways.org/documents/20182/24917/nsf-logo.png/4cc7c9fb-28d6-4048-b531-0d6129a62af6?t=1518028501770" class="" style="box-sizing: inherit; border: 0px; vertical-align: middle; max-width: 100%; height: 100px; width: 100px;"></p>
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