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<!DOCTYPE html>
<html>
<head>
<meta charset="utf-8">
<title>Theoretical Chemistry group meeting archive</title>
<link rel="stylesheet" href="style/main.css">
<link rel="stylesheet" media="only screen and (max-width: 45em)" href="style/narrow.css" />
</head>
<body>
<div id="content">
<div id="header">
<h1>Theoretical Chemistry group meeting archive</h1>
</div>
<div id="nav">
<a href="#2016">2016</a>
<a href="#2017">2017</a>
<a href="#2019">2019</a>
</div>
<table class="details" id="2019">
<tr class="header">
<th scope="col">Date</th>
<th scope="col">Topic</th>
<th scope="col">Presenter</th>
<th scope="col">Materials</th>
</tr>
<tr>
<td class="date">2019-11-08</td>
<td class="title">Domain-based Pair Natural Orbitals for Excited States Using the Similarity Transformed Equation of Motion Formalism</td>
<td class="presenter">Róbert Izsák</td>
<td class="materials"><a href="materials/2019-11-08.pdf.xz">slides</a></td>
</tr>
<tr>
<td class="date">2019-11-06</td>
<td class="title">Quantum mechanical free energy calculations using path integral molecular dynamics</td>
<td class="presenter">Kevin Bishop</td>
<td class="materials"><a href="materials/2019-11-06d.pdf">slides</a></td>
</tr>
<tr>
<td class="date">2019-11-06</td>
<td class="title">Universality class of the phase transition in dipolar linear rotor chains</td>
<td class="presenter">Dmitri Iouchtchenko</td>
<td class="materials"><a href="materials/2019-11-06c.pdf">slides</a></td>
</tr>
<tr>
<td class="date">2019-11-06</td>
<td class="title">Cost-efficient normal-order and Wick's theorem based many body approach for thermal properties and quantum dynamics for both electronic and vibronic problems</td>
<td class="presenter">Songhao Bao</td>
<td class="materials"><a href="materials/2019-11-06b.pdf">slides</a></td>
</tr>
<tr>
<td class="date">2019-11-06</td>
<td class="title">Compact Coulomb integrals using short-range real-space and long-range Fourier representations</td>
<td class="presenter">Mike Lecours</td>
<td class="materials"><a href="materials/2019-11-06a.pdf">slides</a></td>
</tr>
</table>
<table class="details" id="2017">
<tr class="header">
<th scope="col">Date</th>
<th scope="col">Topic</th>
<th scope="col">Presenter</th>
<th scope="col">Materials</th>
</tr>
<tr>
<td class="date">2017-06-16</td>
<td class="title">Explanation of Centroid Dynamics</td>
<td class="presenter">Lindsay Orr</td>
<td class="materials"></td>
</tr>
<tr>
<td class="date">2017-05-05</td>
<td class="title">Quantum correlations in molecular rotor systems</td>
<td class="presenter">Thomas Halverson</td>
<td class="materials"><a href="materials/2017-05-05.pdf">slides</a></td>
</tr>
<tr>
<td class="date">2017-04-21</td>
<td class="title">Confined Quantum Molecule Degrees of Freedom: Symmetry-breaking in H<sub>2</sub>@C<sub>60</sub> Endofullerene</td>
<td class="presenter">Jianying Sheng</td>
<td class="materials"><a href="materials/2017-04-21.pdf">slides</a></td>
</tr>
<tr>
<td class="date">2017-04-07</td>
<td class="title">Benchmark of Model Magnetic Systems</td>
<td class="presenter">Siyuan Wu</td>
<td class="materials"><a href="materials/2017-04-07.pdf">slides</a></td>
</tr>
<tr>
<td class="date">2017-02-24</td>
<td class="title">Local Pair Natural Orbital Variant of Mukherjee's Multireference Coupled Cluster Method</td>
<td class="presenter">Ondřej Demel</td>
<td class="materials"></td>
</tr>
<tr>
<td class="date">2017-02-03</td>
<td class="title">Second Order Classical Perturbation Theory For The Sticking Probability Of Heavy Atoms Scattered On Surfaces</td>
<td class="presenter">Tapas Sahoo</td>
<td class="materials"><a href="materials/2017-02-03.pdf">slides</a></td>
</tr>
<tr>
<td class="date">2017-01-27</td>
<td class="title">Theoretical study of methane containing molecular pairs</td>
<td class="presenter">Yulia Kalugina</td>
<td class="materials"><a href="materials/2017-01-27.pdf">slides</a></td>
</tr>
<tr>
<td class="date">2017-01-13</td>
<td class="title">Entanglement in superfluid helium-4: a window into quantum information in matter</td>
<td class="presenter">Chris Herdman</td>
<td class="materials"></td>
</tr>
</table>
<table class="details" id="2016">
<tr class="header">
<th scope="col">Date</th>
<th scope="col">Topic</th>
<th scope="col">Presenter</th>
<th scope="col">Materials</th>
</tr>
<tr>
<td class="date">2016-12-21</td>
<td class="title">Transition State Searching with Vibronic Model</td>
<td class="presenter">Xiaotian Chen</td>
<td class="materials"><a href="materials/2016-12-21.pdf">slides</a></td>
</tr>
<tr>
<td class="date">2016-12-16</td>
<td class="title">Benchmark of Model Magnetic Systems</td>
<td class="presenter">Piaoyu Hu</td>
<td class="materials"></td>
</tr>
<tr>
<td class="date">2016-11-25</td>
<td class="title">Entanglement in superfluids</td>
<td class="presenter">Chris Herdman</td>
<td class="materials"></td>
</tr>
<tr>
<td class="date">2016-11-18</td>
<td class="title">Quantum free energy calculations using path integral molecular dynamics</td>
<td class="presenter">Kevin Bishop</td>
<td class="materials"><a href="materials/2016-11-18.pdf">slides</a></td>
</tr>
<tr>
<td class="date">2016-11-11</td>
<td class="title">Ergodicity in Path Integral Simulations</td>
<td class="presenter">Matthew Schmidt</td>
<td class="materials"><a href="materials/2016-11-11.pdf">slides</a></td>
</tr>
<tr>
<td class="date">2016-10-28</td>
<td class="title">Modelling of Potential Energy Surfaces for Chemical Reactions using Vibronic Models</td>
<td class="presenter">Prateek Goel</td>
<td class="materials"></td>
</tr>
<tr>
<td class="date">2016-10-21</td>
<td class="title">Simulating experimental error with the Bose-Hubbard model</td>
<td class="presenter">Dmitri Iouchtchenko</td>
<td class="materials"><a href="materials/2016-10-21.pdf">notes</a></td>
</tr>
<tr>
<td class="date">2016-09-30</td>
<td class="title">Thermodynamic Properties of Nonadiabatic Systems</td>
<td class="presenter">Neil Raymond</td>
<td class="materials"><a href="materials/2016-09-30.pdf">slides</a></td>
</tr>
<tr>
<td class="date">2016-09-23</td>
<td class="title">Exact Quantum Dynamics Calculations of Large Dimensional Molecules using Phase Space Basis Truncation</td>
<td class="presenter">Thomas Halverson</td>
<td class="materials"><a href="materials/2016-09-23.pdf">slides</a></td>
</tr>
</table>
</div>
</body>
</html>