AIChE 2019 | How to Design a Fast Nanocar

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# .red[How to Design a Fast Nanocar]
### Kutay B. Sezginel<sup>a,b</sup>, Jessica Nash<sup>b</sup>, and Christopher E. Wilmer<sup>a</sup>
#### .gray[a Chemical Engineering, University of Pittsburgh]
#### .gray[b The Molecular Sciences Software Institute]
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### AIChE 2019
### .gray[Software Engineering in and for the Molecular Sciences]
#### 11 November 2019 | Orlando, FL

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<div style="width: 40%; text-align: center; float:left; position: relative; left: -40px; top: -60px;">
  <h3 style="width: 100%; text-align: center; float:left; position: relative; top: 20px;">Biological Molecular Machines</h3>
  <b>Kinesin</b><br>
  <img src="/assets/img/presentations/molssi/kinesin-walker.gif" height=250 style="border-radius: 2%;">
</div>

<div style="width: 40%; text-align: center; float:left; position: relative; left: -460px; top: 300px;">
  <br><br><b>RNA Polymerase</b><br>
  <img src="/assets/img/presentations/molssi/rna-polymerase-animation.gif" height=240 style="border-radius: 2%;">
</div>

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<div style="width: 60%; text-align: center; float:left; position: relative; right: 0px; top: -45px;">
  <h3 style="width: 100%; text-align: center; float:left; position: relative; top: 5px;">Artificial Molecular Machines</h3>
  <img src="/assets/img/presentations/molssi/amms-rb.png" height=270>
</div>

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<div style="width: 100%; text-align: left; float:left; position: relative; top: -25px; right: 0px;">
  <h2>Modeling Nanocar Diffusion on Surfaces</h3>
</div>

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<h2 style="width: 100%; text-align: left; float:left; position: relative; top: -30px;">Mean Squared Displacement</h2>

<h2 style="width: 100%; text-align: left; float:left; position: relative; top: -60px;">Transition State Theory</h2>

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<h2 class="title">Diffusion and molecular structure</h2>

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<h2 style="width: 100%; text-align: center; float:left; position: relative; top: -30px;">Nanocar Builder</h2>

<div style="width: 50%; text-align: center; float:left; position: relative; left: -40px; top: -100px;">
  <h3 style="text-align: left; position: relative; top: 0px;">Wheels</h3>
  <img src="/assets/img/presentations/acs-2019/nanocar_wheels.png" height=200>
  <h3 style="text-align: left; position: relative; top: 0px;">Chassis</h3>
  <img src="/assets/img/presentations/acs-2019/nanocar_chassis.png" height=200>
</div>

<div style="width: 50%; float: right; position: relative; top: -30px; right: -120px;">
  <ul>
    <li>Build nanocars, add custom building blocks</li>
    <li>Build metal surfaces (ASE)</li>
    <li>Test drive your nanocar (LAMMPS)</li>
    <li>Multibody rigid MD</li>
  </ul>
</div>

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<div style="width: 50%; float: left; position: relative; top: -20px; right: -190px;">
  <img src="/assets/img/presentations/aiche-2019/nanocar-avogadro-gh.png" height=40>
</div>

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<h2 class="title">Nanocar diffusion simulation (LAMMPS)</h2>

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<div style="width: 100%; text-align: center; float:left; position: relative; top: -30px;">
  <h2><div class="font-effect-anaglyph">Thank you!<div></h2>
</div>

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.col2[<p align="center"><img src="/assets/img/presentations/pitt-swanson.png" height=120></p>]

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