<html xmlns:v="urn:schemas-microsoft-com:vml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:x="urn:schemas-microsoft-com:office:excel" xmlns:p="urn:schemas-microsoft-com:office:powerpoint" xmlns:a="urn:schemas-microsoft-com:office:access" xmlns:dt="uuid:C2F41010-65B3-11d1-A29F-00AA00C14882" xmlns:s="uuid:BDC6E3F0-6DA3-11d1-A2A3-00AA00C14882" xmlns:rs="urn:schemas-microsoft-com:rowset" xmlns:z="#RowsetSchema" xmlns:b="urn:schemas-microsoft-com:office:publisher" xmlns:ss="urn:schemas-microsoft-com:office:spreadsheet" xmlns:c="urn:schemas-microsoft-com:office:component:spreadsheet" xmlns:odc="urn:schemas-microsoft-com:office:odc" xmlns:oa="urn:schemas-microsoft-com:office:activation" xmlns:html="http://www.w3.org/TR/REC-html40" xmlns:q="http://schemas.xmlsoap.org/soap/envelope/" xmlns:rtc="http://microsoft.com/officenet/conferencing" xmlns:D="DAV:" xmlns:Repl="http://schemas.microsoft.com/repl/" xmlns:mt="http://schemas.microsoft.com/sharepoint/soap/meetings/" xmlns:x2="http://schemas.microsoft.com/office/excel/2003/xml" xmlns:ppda="http://www.passport.com/NameSpace.xsd" xmlns:ois="http://schemas.microsoft.com/sharepoint/soap/ois/" xmlns:dir="http://schemas.microsoft.com/sharepoint/soap/directory/" xmlns:ds="http://www.w3.org/2000/09/xmldsig#" xmlns:dsp="http://schemas.microsoft.com/sharepoint/dsp" xmlns:udc="http://schemas.microsoft.com/data/udc" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:sub="http://schemas.microsoft.com/sharepoint/soap/2002/1/alerts/" xmlns:ec="http://www.w3.org/2001/04/xmlenc#" xmlns:sp="http://schemas.microsoft.com/sharepoint/" xmlns:sps="http://schemas.microsoft.com/sharepoint/soap/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:udcs="http://schemas.microsoft.com/data/udc/soap" xmlns:udcxf="http://schemas.microsoft.com/data/udc/xmlfile" xmlns:udcp2p="http://schemas.microsoft.com/data/udc/parttopart" xmlns:wf="http://schemas.microsoft.com/sharepoint/soap/workflow/" xmlns:dsss="http://schemas.microsoft.com/office/2006/digsig-setup" xmlns:dssi="http://schemas.microsoft.com/office/2006/digsig" xmlns:mdssi="http://schemas.openxmlformats.org/package/2006/digital-signature" xmlns:mver="http://schemas.openxmlformats.org/markup-compatibility/2006" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns:mrels="http://schemas.openxmlformats.org/package/2006/relationships" xmlns:spwp="http://microsoft.com/sharepoint/webpartpages" xmlns:ex12t="http://schemas.microsoft.com/exchange/services/2006/types" xmlns:ex12m="http://schemas.microsoft.com/exchange/services/2006/messages" xmlns:pptsl="http://schemas.microsoft.com/sharepoint/soap/SlideLibrary/" xmlns:spsl="http://microsoft.com/webservices/SharePointPortalServer/PublishedLinksService" xmlns:Z="urn:schemas-microsoft-com:" xmlns:st="" xmlns="http://www.w3.org/TR/REC-html40">
<head>
<META HTTP-EQUIV="Content-Type" CONTENT="text/html; charset=us-ascii">
<meta name=Generator content="Microsoft Word 12 (filtered medium)">
<style>
<!--
/* Font Definitions */
@font-face
{font-family:"Cambria Math";
panose-1:2 4 5 3 5 4 6 3 2 4;}
@font-face
{font-family:Calibri;
panose-1:2 15 5 2 2 2 4 3 2 4;}
@font-face
{font-family:Consolas;
panose-1:2 11 6 9 2 2 4 3 2 4;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0in;
margin-bottom:.0001pt;
font-size:11.0pt;
font-family:"Calibri","sans-serif";}
a:link, span.MsoHyperlink
{mso-style-priority:99;
color:blue;
text-decoration:underline;}
a:visited, span.MsoHyperlinkFollowed
{mso-style-priority:99;
color:purple;
text-decoration:underline;}
p.MsoPlainText, li.MsoPlainText, div.MsoPlainText
{mso-style-priority:99;
mso-style-link:"Plain Text Char";
margin:0in;
margin-bottom:.0001pt;
font-size:10.5pt;
font-family:Consolas;}
p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
{mso-style-priority:1;
margin:0in;
margin-bottom:.0001pt;
font-size:11.0pt;
font-family:"Calibri","sans-serif";}
span.PlainTextChar
{mso-style-name:"Plain Text Char";
mso-style-priority:99;
mso-style-link:"Plain Text";
font-family:Consolas;}
span.EmailStyle20
{mso-style-type:personal;
font-family:"Calibri","sans-serif";
color:windowtext;}
span.EmailStyle21
{mso-style-type:personal;
font-family:"Calibri","sans-serif";
color:#1F497D;}
span.EmailStyle22
{mso-style-type:personal;
font-family:"Calibri","sans-serif";
color:#1F497D;}
span.EmailStyle23
{mso-style-type:personal-reply;
font-family:"Calibri","sans-serif";
color:#1F497D;}
.MsoChpDefault
{mso-style-type:export-only;
font-size:10.0pt;}
@page WordSection1
{size:8.5in 11.0in;
margin:1.0in 1.0in 1.0in 1.0in;}
div.WordSection1
{page:WordSection1;}
-->
</style>
<!--[if gte mso 9]><xml>
<o:shapedefaults v:ext="edit" spidmax="1026" />
</xml><![endif]--><!--[if gte mso 9]><xml>
<o:shapelayout v:ext="edit">
<o:idmap v:ext="edit" data="1" />
</o:shapelayout></xml><![endif]-->
</head>
<body lang=EN-US link=blue vlink=purple>
<div class=WordSection1>
<p class=MsoNormal>Dear All,<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoPlainText><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:black'>This is a kind reminder that our next LI-LA-SiGMA seminar is
today, March 15th at 2.00pm. Our speaker is Dr. Steven O. Nielsen from University
of Texas at Dallas. Dr. Nielsen is visiting LSU thanks to </span><span
style='font-family:"Calibri","sans-serif";color:black'>Dr. Bin Chen.</span><span
style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:black'><o:p></o:p></span></p>
<p class=MsoPlainText><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'><o:p> </o:p></span></p>
<p class=MsoPlainText style='text-align:justify'><b><span style='font-size:
11.0pt;font-family:"Calibri","sans-serif"'>Title: </span></b><span
style='font-size:11.0pt;font-family:"Calibri","sans-serif"'>Adaptive multiscale
molecular dynamics simulations of soft matter<b><o:p></o:p></b></span></p>
<p class=MsoPlainText style='text-align:justify'><span style='font-size:11.0pt;
font-family:"Calibri","sans-serif"'><o:p> </o:p></span></p>
<p class=MsoPlainText style='text-align:justify'><u><span style='font-size:
11.0pt;font-family:"Calibri","sans-serif"'>Abstract:</span></u><span
style='font-size:11.0pt;font-family:"Calibri","sans-serif"'> Understanding
mesoscopic phenomena in terms of the fundamental motions of atoms and electrons
poses a strong challenge for molecular simulation. This challenge is being met
by multiscale modeling techniques that aim to bridge between the microscopic
and mesoscopic time and length scales. In such techniques different levels of
theory are combined to describe a system at a number of scales or resolutions.
In adaptive hybrid simulations, the different levels are used in separate
spatial domains, and matter can diffuse from one region to another with an
accompanying resolution change. Until now, however, adaptive
atomistic/coarse-grained (AA/CG) molecular dynamics simulations have had very
limited applicability because the on-the-fly CG-to-AA transformation is
problematic in all cases with the exception of molecules with a single particle
CG representation. Here, we solve this problem by combining a transitional
healing region with a rotational dynamics of rigid AA fragments in the CG
region. Error control is obtained by analysis of the AA/CG energy flow. We
illustrate the method with adaptive multiscale simulations of liquid hexane and
of a dilute polymer solution in a theta solvent.<o:p></o:p></span></p>
<p class=MsoPlainText><span style='font-size:11.0pt;font-family:"Calibri","sans-serif"'><o:p> </o:p></span></p>
<p class=MsoPlainText><span style='font-size:11.0pt;font-family:"Calibri","sans-serif"'>The
access grid locations are as follow: <o:p></o:p></span></p>
<p class=MsoPlainText><span style='font-size:11.0pt;font-family:"Calibri","sans-serif"'><o:p> </o:p></span></p>
<p class=MsoNoSpacing style='line-height:115%'><u>Tulane:</u> AG room: 403
Stanley Thomas Hall<o:p></o:p></p>
<p class=MsoNoSpacing style='line-height:115%'><u>University of Louisiana at
Lafayette</u>: AG room: Abdalla Hall<o:p></o:p></p>
<p class=MsoNoSpacing style='line-height:115%'><u>Southern University:</u>
AG room: 218 Moore Hall<o:p></o:p></p>
<p class=MsoNoSpacing style='line-height:115%'><u>UNO:</u> AG room: <span
style='color:black'>SC 2002</span><o:p></o:p></p>
<p class=MsoNoSpacing style='line-height:115%'><u>LSU:</u> AG room:
Johnston 338<o:p></o:p></p>
<p class=MsoNoSpacing style='line-height:115%'><u>LATECH:</u> AG room: 234
Netken Hall<o:p></o:p></p>
<p class=MsoPlainText style='text-align:justify'><span style='font-size:11.0pt;
font-family:"Calibri","sans-serif"'><o:p> </o:p></span></p>
<p class=MsoPlainText style='text-align:justify'><span style='font-size:11.0pt;
font-family:"Calibri","sans-serif"'>Please, distribute this email to your
students and colleagues.<o:p></o:p></span></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>Kind Regards,<o:p></o:p></p>
<p class=MsoNormal>Dentcho<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>----<o:p></o:p></p>
<p class=MsoNormal>Dentcho A. Genov, PhD<o:p></o:p></p>
<p class=MsoNormal>The LONI Institute Fellow<o:p></o:p></p>
<p class=MsoNormal>Assistant Professor of Physics & Electrical Engineering<o:p></o:p></p>
<p class=MsoNormal>Louisiana Tech University, Engineering Annex, Room 220<o:p></o:p></p>
<p class=MsoNormal>599 W Arizona Ave, Ruston LA 71272<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>Phone: (318) 257-4190, Fax: (318) 257-2777<o:p></o:p></p>
<p class=MsoNormal>Webpage: http://www.phys.latech.edu/~dgenov/<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
</div>
</body>
</html>