{"id":676,"date":"2018-05-24T13:50:27","date_gmt":"2018-05-24T13:50:27","guid":{"rendered":"https:\/\/wordpress.elsi-interchange.org\/?page_id=676"},"modified":"2019-09-01T04:22:00","modified_gmt":"2019-09-01T04:22:00","slug":"elsi-workshop-2018","status":"publish","type":"page","link":"https:\/\/wordpress.elsi-interchange.org\/index.php\/elsi-workshop-2018\/","title":{"rendered":"ELSI Workshop 2018"},"content":{"rendered":"<hr \/>\n<h3>MolSSI Workshop \/ ELSI Conference:<\/h3>\n<h1>Solving or Circumventing Eigenvalue Problems in Electronic Structure Theory<\/h1>\n<p>August 15-17, 2018<br \/>\nRichmond, Virginia<\/p>\n<p><a href=\"https:\/\/wordpress.elsi-interchange.org\/index.php\/elsi-workshop-2018#Overview\">Overview<\/a> \u00b7 <a href=\"https:\/\/wordpress.elsi-interchange.org\/index.php\/elsi-workshop-2018#Dates\">Important Dates<\/a> \u00b7 <a href=\"https:\/\/wordpress.elsi-interchange.org\/index.php\/elsi-workshop-2018#Speakers\">Invited Speakers<\/a> \u00b7 <a href=\"https:\/\/wordpress.elsi-interchange.org\/index.php\/elsi-workshop-2018#Program\">Program<\/a> \u00b7 <a href=\"https:\/\/wordpress.elsi-interchange.org\/index.php\/elsi-workshop-2018#Schedule\">Schedule<\/a> \u00b7 <a href=\"https:\/\/wordpress.elsi-interchange.org\/index.php\/elsi-workshop-2018#Registration\">Registration<\/a> \u00b7 <a href=\"https:\/\/wordpress.elsi-interchange.org\/index.php\/elsi-workshop-2018#Location\">Location and Travel<\/a> \u00b7 <a href=\"https:\/\/wordpress.elsi-interchange.org\/index.php\/elsi-workshop-2018#Accommodation\">Accommodation<\/a> \u00b7 <a href=\"https:\/\/wordpress.elsi-interchange.org\/index.php\/elsi-workshop-2018#Organizers\">Contact and Organizers<\/a><\/p>\n<hr \/>\n<p><a name=\"Overview\"><\/a><\/p>\n<p><b>Overview<\/b><\/p>\n<p>The eigenvalue problem touches virtually every application of electronic structure theory to molecular or solid-state (materials) simulations. For small problems, traditional O(N<sup>3<\/sup>) eigenvalue solver libraries are often the most efficient solution to the eigenvalue problem, but for mid-to-very-large system sizes, several alternative solution strategies with lower scaling exponents eventually become the only viable options for practical simulations.<\/p>\n<p>This workshop aims to bring together the broader community of researchers with an interest in scalable solvers for electronic structure theory for exchange of ideas and discussions &#8211; including, but not limited to:<\/p>\n<ul>\n<li>Experts affiliated with different electronic structure codes from the quantum chemistry and computational materials science communities<\/li>\n<li>Experts on solver libraries and strategies<\/li>\n<li>Experts representing different, community-focused scientific software projects<\/li>\n<\/ul>\n<p>In addition to the invited talks, the workshop will foster opportunities for in-depth interaction between all participants through a poster session early in the program (day 1) and through two dedicated \u201chands-on discussion\u201d sessions. In the hands-on discussions, participants will self-organize into smaller groups to address topics of mutual interest. While some of the topics may be suggested by the organizers, others are expected to emerge organically from among the participants, ranging from small groups focused on trying out a specific software package, to discussion groups for strategic needs in a certain area, to implementation of a specific improvement in a software or code package emerging from discussion at the workshop.<\/p>\n<p>The workshop will be held at <a href=\"https:\/\/www.graduatehotels.com\/richmond\/\" target=\"_top\" rel=\"noopener noreferrer\">The Graduate Richmond<\/a> in the historic downtown area of Richmond, Virginia. Richmond is easy to reach by car, buses or trains, located about two hours south of Washington, DC.<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-854\" src=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/MolSSI_ELSI_2018_Conference_Photo.jpg\" alt=\"\" width=\"2736\" height=\"1824\" \/><\/p>\n<p style=\"text-align: center;\">Participants at the Byrd House at The Graduate Richmond<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-853\" src=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/MolSSI_ELSI_2018_Conference_Photo_2.jpg\" alt=\"\" width=\"2736\" height=\"1824\" \/><\/p>\n<p style=\"text-align: center;\">Thanks to all our speakers and participants for a fantastic conference!<\/p>\n<hr \/>\n<p><a name=\"Dates\"><\/a><\/p>\n<p><b>Important Dates:<\/b><\/p>\n<ul>\n<li><b>Registration deadline:<\/b>\u00a0 July 6, 2018<\/li>\n<li><b>Welcome and first talk:<\/b>\u00a0 August 15, 2018 &#8211; 9 a.m.<\/li>\n<li><b>Closing discussion and end of workshop:<\/b>\u00a0 August 17, 2018 &#8211; 4 p.m.<\/li>\n<\/ul>\n<hr \/>\n<p><a name=\"Speakers\"><\/a><\/p>\n<p><strong>Invited Speakers:<\/strong><\/p>\n<ul>\n<li>Amartya Banerjee (Lawrence Berkeley National Laboratory, Berkeley, CA)<\/li>\n<li>Christian Carbogno (Fritz Haber Institute of the Max Planck Society, Berlin, Germany)<\/li>\n<li>Edmond Chow (Georgia Institute of Technology, Atlanta, GA)<\/li>\n<li>Stefano de Gironcoli (SISSA, Trieste, Italy)<\/li>\n<li>Bert de Jong (Lawrence Berkeley National Laboratory, Berkeley, CA)<\/li>\n<li>Jack Deslippe (Lawrence Berkeley National Laboratory, Berkeley, CA)<\/li>\n<li>Jean-Luc Fattebert (Oak Ridge National Laboratory, Oak Ridge, TN)<\/li>\n<li>Hong Guo (McGill University, Montreal, Canada)<\/li>\n<li>Teresa Head-Gordon (University of California at Berkeley, CA)<\/li>\n<li>Ben Hourahine (University of Strathclyde, Glasgow)<\/li>\n<li>William Huhn (Duke University, Durham, NC)<\/li>\n<li>Toshiyuki Imamura (AICS, RIKEN, Japan)<\/li>\n<li>Mathias Jaquelin (Lawrence Berkeley National Laboratory, Berkeley, CA)<\/li>\n<li>Weile Jia (University of California, Berkeley, CA)<\/li>\n<li>Murat Ke\u00e7eli (Argonne National Laboratory, Argonne, IL)<\/li>\n<li>Jeongnim Kim (Intel, Hillsboro, OR)<\/li>\n<li>Bruno Lang (University of Wuppertal, Germany)<\/li>\n<li>Yingzhou Li (Duke University, Durham, NC)<\/li>\n<li>Piotr Luszczek (University of Tennessee, Knoxville, TN)<\/li>\n<li>Ayako Nakata (National Institute for Materials Science, Japan)<\/li>\n<li>Micael Oliveira (Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany)<\/li>\n<li>Nick Papior (Technical University of Denmark, Kgs. Lyngby, Denmark)<\/li>\n<li>Carolin Penke (Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany)<\/li>\n<li>Eric Polizzi (University of Massachusetts, Amherst, MA)<\/li>\n<li>Jack Poulson (Google, Mountain View, CA)<\/li>\n<li>Nadezhda Reshetnikova (Intel, Hillsboro, OR)<\/li>\n<li>Chris-Kriton Skylaris (University of Southampton, UK)<\/li>\n<li>Victor Yu (Duke University, Durham, NC)<\/li>\n<li>Yunkai Zhou (Southern Methodist University, Dallas TX)<\/li>\n<\/ul>\n<hr \/>\n<p><a name=\"Program\"><\/a><\/p>\n<p><strong>Program<\/strong><\/p>\n<p><strong>Talks (Invited):<\/strong>\u00a0 Invited talks will be 20 minutes long, followed by 5 minutes of discussion.<\/p>\n<p class=\"vspace\"><strong>Posters (Contributed):<\/strong> A poster session will be held on the first evening of the workshop. Posters should have dimensions of 4 feet x 4 feet (122 cm x 122 cm) or less to fit on the provided poster boards.<\/p>\n<p class=\"vspace\"><strong>Hands-On Discussions:<\/strong> Time will be reserved in the afternoons for Hands-On Discussions, providing dedicated time for the participants to split up into small groups to focus on topics of specific interest. Possible topics range from methodological improvements all the way to code development questions related to specific subgroups of participants and joint programming sessions.<\/p>\n<p><strong>Workshop booklet:<\/strong>\u00a0 A booklet summarizing the workshop schedule and abstracts of the talks and posters may be downloaded\u00a0<a href=\"http:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Workshop-booklet.pdf\">here<\/a>.<\/p>\n<hr \/>\n<p><a name=\"Schedule\"><\/a><\/p>\n<p><strong>Schedule<\/strong><\/p>\n<p>All events will take place on the third floor of <a href=\"https:\/\/www.graduatehotels.com\/richmond\/\" target=\"_top\" rel=\"noopener noreferrer\">The Graduate Richmond<\/a>, and all times are given in local Richmond time (EDT, GMT-4).<\/p>\n<p style=\"text-align: center;\"><strong>Day 1 (Wed, August 15)<\/strong><\/p>\n<table width=\"752\">\n<tbody>\n<tr>\n<td width=\"101\"><strong>Time<\/strong><\/td>\n<td width=\"151\"><strong>Speaker<\/strong><\/td>\n<td width=\"491\"><strong>Event<\/strong><\/td>\n<\/tr>\n<tr>\n<td width=\"101\">8:00 &#8211; 9:00<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Breakfast and Welcoming Remarks<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">9:00 &#8211; 9:25<\/td>\n<td width=\"151\">Teresa Head-Gordon<\/td>\n<td width=\"491\">Reducing and Eliminating Self-Consistent Field Calculations in Classical and Ab Initio Simulations (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Head_Gordon_Teresa-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">9:25 &#8211; 9:50<\/td>\n<td width=\"151\">Bert de Jong<\/td>\n<td width=\"491\">NWChemEx, Current State and Solver Needs (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/de_Jong_Bert-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">9:50 &#8211; 10:15<\/td>\n<td width=\"151\">Stefano de Gironcoli<\/td>\n<td width=\"491\">Comparing Efficiency of Iterative Eigenvalue Solvers: The Quantum ESPRESSO Experience (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/de_Gironcoli_Stefano-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">10:15 &#8211; 10:50<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Coffee Break<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">10:50 &#8211; 11:15<\/td>\n<td width=\"151\">Victor Yu<\/td>\n<td width=\"491\">Recent Developments in the ELSI Infrastructure for Large-Scale Electronic Structure Theory (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Yu_Victor-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">11:15 &#8211; 11:40<\/td>\n<td width=\"151\">Micael Oliveira<\/td>\n<td width=\"491\">The CECAM Electronic Structure Library: Past, Present and Future (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Oliveira_Micael-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">11:40 &#8211; 12:05<\/td>\n<td width=\"151\">Ben Hourahine<\/td>\n<td width=\"491\">Experiences with Self-Consistent Tight Binding and ELSI (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Hourahine_Ben-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">12:00 &#8211; 1:30<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Lunch Off-Site<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">1:30 &#8211; 1:55<\/td>\n<td width=\"151\">Bruno Lang<\/td>\n<td width=\"491\">Recent Algorithmic Developments in ELPA (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Lang_Bruno-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">1:55 &#8211; 2:20<\/td>\n<td width=\"151\">Christian Carbogno<\/td>\n<td width=\"491\">Recent Advancements in the ELPA Library: Best Practices in Real Applications (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Carbogno_Christian-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">2:20 &#8211; 2:45<\/td>\n<td width=\"151\">Eric Polizzi<\/td>\n<td width=\"491\">FEAST v4.0 with Applications to Electronic Structure<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">2:45 &#8211; 3:10<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Coffee Break<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">3:10 &#8211; 5:00<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Hands-On Discussion<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">5:00 &#8211; 6:00<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Break<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">6:00 &#8211;<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Poster Session<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<p style=\"text-align: center;\"><strong>Day 2 (Thurs, August 16)<\/strong><\/p>\n<table width=\"752\">\n<tbody>\n<tr>\n<td width=\"101\"><strong>Time<\/strong><\/td>\n<td width=\"151\"><strong>Speaker<\/strong><\/td>\n<td width=\"491\"><strong>Event<\/strong><\/td>\n<\/tr>\n<tr>\n<td width=\"101\">8:00 &#8211; 9:00<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Breakfast<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">9:00 &#8211; 9:25<\/td>\n<td width=\"151\">Edmond Chow<\/td>\n<td width=\"491\">Exact Density Matrix Purification for Parallel Computations (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Chow_Edmond-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">9:25 &#8211; 9:50<\/td>\n<td width=\"151\">Jack Deslippe<\/td>\n<td width=\"491\">Eigenvalue Problems in Many Body Perturbation Theory (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/09\/Deslippe_Jack-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">9:50 &#8211; 10:15<\/td>\n<td width=\"151\">Jack Poulson<\/td>\n<td width=\"491\">Equilibrating Alternating Methods for Low-Rank Approximations with Gaussian Priors via Conic Automorphisms (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Poulson_Jack-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">10:15 &#8211; 10:50<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Coffee Break<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">10:50 &#8211; 11:15<\/td>\n<td width=\"151\">Weile Jia<\/td>\n<td width=\"491\">Robust Determination of Chemical Potential in the Pole Expansion Method and Fast Time Dependent Density Functional Theory Calculations (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Jia_Weile-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">11:15 &#8211; 11:40<\/td>\n<td width=\"151\">Carolin Penke<\/td>\n<td width=\"491\">Opportunities for ELPA to Accelerate the Solution of the Bethe-Salpeter Eigenvalue Problem (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/09\/Penke_Carolin-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">11:40 &#8211; 12:05<\/td>\n<td width=\"151\">Mathias Jaquelin<\/td>\n<td width=\"491\">Task-Based Left-Looking Selected Inversion Algorithm on Shared Memory Systems<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">12:00 &#8211; 1:30<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Lunch Off-Site<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">1:30 &#8211; 1:55<\/td>\n<td width=\"151\">Jeongnim Kim<\/td>\n<td width=\"491\">Empowering Domain- and Application-Specific Libraries on Intel Platforms<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">1:55 &#8211; 2:20<\/td>\n<td width=\"151\">Nadezhda Reshetnikova<\/td>\n<td width=\"491\">Recent Development of Intel MKL Library<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">2:20 &#8211; 2:45<\/td>\n<td width=\"151\">Piotr Luszczek<\/td>\n<td width=\"491\">Eigenvalue Solvers Considerations on Modern HPC Hardware Platforms (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Luszczek_Piotr-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">2:45 &#8211; 3:10<\/td>\n<td width=\"151\">Hong Guo<\/td>\n<td width=\"491\">Computational Materials Science by RESCU &#8211; a KS-DFT Method for Solving Thousands of Atom<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">3:10 &#8211; 3:40<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Coffee Break<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">3:40 &#8211; 5:30<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Hands-On Discussion<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">5:30 &#8211; 6:00<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Break<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">6:00 &#8211;<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Conference Dinner<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<p style=\"text-align: center;\"><strong>Day 3 (Fri, August 17)<\/strong><\/p>\n<table width=\"752\">\n<tbody>\n<tr>\n<td width=\"101\"><strong>Time<\/strong><\/td>\n<td width=\"151\"><strong>Speaker<\/strong><\/td>\n<td width=\"491\"><strong>Event<\/strong><\/td>\n<\/tr>\n<tr>\n<td width=\"101\">8:00 &#8211; 9:00<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Breakfast<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">9:00 &#8211; 9:25<\/td>\n<td width=\"151\">Chris-Kriton Skylaris<\/td>\n<td width=\"491\">Electronic Energy Minimization Methods in the ONETEP Program (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Skylaris_Chris_Kriton-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">9:25 &#8211; 9:50<\/td>\n<td width=\"151\">Amartya Banerjee<\/td>\n<td width=\"491\">Pushing the Envelope of Large Scale First Principles Simulations of Non-Insulating Systems (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Banerjee_Amartya-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">9:50 &#8211; 10:15<\/td>\n<td width=\"151\">Jean-Luc Fattebert<\/td>\n<td width=\"491\">Finite Difference DFT Solver: Direct Functional Minimization with Eigensolver in Projected Subspace (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Fattebert_Jean_Luc-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">10:15 &#8211; 10:50<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Coffee Break<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">10:50 &#8211; 11:15<\/td>\n<td width=\"151\">Murat Keceli<\/td>\n<td width=\"491\">SLEPc-SIPs: Massively Parallel Sparse Eigensolver for Electronic Structure Calculations (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Keceli_Murat-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">11:15 &#8211; 11:40<\/td>\n<td width=\"151\">Yunkai Zhou<\/td>\n<td width=\"491\">Accelerating Eigenvalue Calculations: Shift-Without-Invert and Shift-with-Invert Techniques for Spectrum-Partition<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">11:40 &#8211; 12:05<\/td>\n<td width=\"151\">Yingzhou Li<\/td>\n<td width=\"491\">Reverse Communication Interface for Iterative Eigensolvers in ELSI (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Li_Yingzhou-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">12:00 &#8211; 1:30<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Lunch Off-Site<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">1:30 &#8211; 1:55<\/td>\n<td width=\"151\">Toshiyuki Imamura<\/td>\n<td width=\"491\">Development of a Dense Eigenvalue Solver for Exa-Scale Systems (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Imamura_Toshiyuki-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">1:55 &#8211; 2:20<\/td>\n<td width=\"151\">Nick Papior<\/td>\n<td width=\"491\">Bigger and Better: Large Scale NEGF Calculations and Coupling DFT with TB (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Papior_Nick-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">2:20 &#8211; 2:45<\/td>\n<td width=\"151\">Ayako Nakata<\/td>\n<td width=\"491\">Eigenstate-Analysis using Sakurai-Sugiura Method with O(N)-DFT Code CONQUEST (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Nakata_Ayako-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">2:45 &#8211; 3:10<\/td>\n<td width=\"151\">William Huhn<\/td>\n<td width=\"491\">GPU-Accelerated Real Space Electronic Structure Theory on HPC Resources (<a href=\"https:\/\/wordpress.elsi-interchange.org\/wp-content\/uploads\/2018\/08\/Huhn_William-MolSSI_ELSI_2018-Richmond.pdf\">slides<\/a>)<\/td>\n<\/tr>\n<tr>\n<td width=\"101\">3:10 &#8211; 3:40<\/td>\n<td width=\"151\"><\/td>\n<td width=\"491\">Close<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<hr \/>\n<p><a name=\"Registration\"><\/a><\/p>\n<p><strong>Registration<\/strong><\/p>\n<p>The workshop registration is now closed.<\/p>\n<hr \/>\n<p><a name=\"Location\"><\/a><\/p>\n<p><strong>Location and Travel<br \/>\n<\/strong><\/p>\n<p>The meeting will take place on the third floor of <a href=\"https:\/\/www.graduatehotels.com\/richmond\/\" target=\"_top\" rel=\"noopener noreferrer\">The Graduate Richmond<\/a> in the historic downtown area of Richmond, Virginia.<\/p>\n<p style=\"text-align: center;\"><iframe loading=\"lazy\" style=\"border: 0;\" src=\"https:\/\/www.google.com\/maps\/embed?pb=!1m18!1m12!1m3!1d3163.4115620798734!2d-77.44883568502293!3d37.545366233098584!2m3!1f0!2f0!3f0!3m2!1i1024!2i768!4f13.1!3m3!1m2!1s0x89b11138a4e5cd91%3A0x9d6b0e5fc8f899f3!2sGraduate+Richmond!5e0!3m2!1sen!2sus!4v1527288713211\" width=\"400\" height=\"300\" frameborder=\"0\" allowfullscreen=\"allowfullscreen\"><\/iframe><\/p>\n<p><em>Street Address<\/em><br \/>\n301 West Franklin Street<br \/>\nRichmond, VA 23220<\/p>\n<hr \/>\n<p><a name=\"Accommodation\"><\/a><\/p>\n<p><strong>Accommodation<\/strong><\/p>\n<p>Invited speakers should contact the organizers of the conference for more information.<\/p>\n<p>Accepted participants (other than invited speakers) may book accommodations at <a href=\"https:\/\/www.graduatehotels.com\/richmond\/\" target=\"_top\" rel=\"noopener noreferrer\">The Graduate Richmond<\/a> at a reduced rate using the <a href=\"https:\/\/gc.synxis.com\/rez.aspx?Hotel=76631&amp;Chain=21643&amp;arrive=8%2f12%2f2018&amp;depart=8%2f18%2f2018&amp;adult=1&amp;child=0&amp;group=GRTX\">reservation link<\/a>.<\/p>\n<hr \/>\n<p><a name=\"Organizers\"><\/a><\/p>\n<p><strong>Contact and Organizers<\/strong><\/p>\n<p>Please contact\u00a0<a href=\"mailto:elsi-workshop-2018@duke.edu\">elsi-workshop-2018@duke.edu<\/a> if you are interested in further information regarding the workshop.<\/p>\n<p class=\"vspace\">The organizers of the workshop, in alphabetical order, are:<\/p>\n<p class=\"vspace\"><a class=\"urllink\" href=\"http:\/\/aims.pratt.duke.edu\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">Volker Blum<\/a><br \/>\nDepartment of Mechanical Engineering and Materials Science<br \/>\nDuke University<br \/>\nDurham, NC 27708<\/p>\n<p class=\"vspace\"><a class=\"urllink\" href=\"http:\/\/www.wphuhn.com\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">William Huhn<\/a><br \/>\nDepartment of Mechanical Engineering and Materials Science<br \/>\nDuke University<br \/>\nDurham, NC 27708<\/p>\n<p><a href=\"https:\/\/math.berkeley.edu\/%7Elinlin\/\" target=\"_top\" rel=\"noopener noreferrer\">Lin Lin<\/a><br \/>\nDepartment of Mathematics<br \/>\nUniversity of California at Berkeley<br \/>\nBerkeley, CA 94720<\/p>\n<p><a href=\"http:\/\/math.duke.edu\/~jianfeng\" target=\"_top\" rel=\"noopener noreferrer\">Jianfeng Lu<\/a><br \/>\nMathematics Department<br \/>\nDuke University<br \/>\nDurham, NC 27708<\/p>\n<p><a href=\"https:\/\/www.alcf.anl.gov\/staff-directory\/alvaro-vazquez-mayagoitia\" target=\"_top\" rel=\"noopener noreferrer\">\u00c1lvaro V\u00e1zquez-Mayagoitia<\/a><br \/>\nArgonne Leadership Computing Facility<br \/>\nArgonne National Laboratory<br \/>\nLemont, IL 60439<\/p>\n<p><a href=\"https:\/\/crd.lbl.gov\/departments\/applied-mathematics\/scalable-solvers\/members\/staff-members\/chao-yang\/\" target=\"_top\" rel=\"noopener noreferrer\">Chao Yang<\/a><br \/>\nComputational Research Division<br \/>\nLawrence Berkeley National Laboratory<br \/>\n<span class=\"locality\">Berkeley<\/span>, <span class=\"region\">CA<\/span> <span class=\"postal-code\">94720<\/span><\/p>\n<p>This workshop is supported by <a href=\"http:\/\/molssi.org\/\" target=\"_top\" rel=\"noopener noreferrer\">MolSSI<\/a> and by the National Science Foundation through Grant Number 1450280 supporting ELSI, a Software Infrastructure for Sustained Innovation \u2013 Scientific Software Integration (SI2-SSI) software infrastructure project. Any opinions, findings, and conclusions or recommendations expressed here are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>MolSSI Workshop \/ ELSI Conference: Solving or Circumventing Eigenvalue Problems in Electronic Structure Theory August 15-17, 2018 Richmond, Virginia Overview \u00b7 Important Dates \u00b7 Invited Speakers \u00b7 Program \u00b7 Schedule \u00b7 Registration<a class=\"moretag\" href=\"https:\/\/wordpress.elsi-interchange.org\/index.php\/elsi-workshop-2018\/\">Read More&#8230;<\/a><\/p>\n","protected":false},"author":6,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-676","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/pages\/676","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/users\/6"}],"replies":[{"embeddable":true,"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/comments?post=676"}],"version-history":[{"count":100,"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/pages\/676\/revisions"}],"predecessor-version":[{"id":1136,"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/pages\/676\/revisions\/1136"}],"wp:attachment":[{"href":"https:\/\/wordpress.elsi-interchange.org\/index.php\/wp-json\/wp\/v2\/media?parent=676"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}