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<p class="MsoNormal">Please see below.<o:p></o:p></p>
<p class="MsoNormal">Best regards,<o:p></o:p></p>
<p class="MsoNormal">Dr.J<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<div>
<p class="MsoNormal">Wojciech M. Jadwisienczak<o:p></o:p></p>
<p class="MsoNormal">Professor of Electrical Engineering<o:p></o:p></p>
<p class="MsoNormal">Graduate Chair <o:p></o:p></p>
<p class="MsoNormal">Section Editor, Journal of Electronic Materials<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Russ College of Engineering and Technology<o:p></o:p></p>
<p class="MsoNormal">School of Electrical Engineering and Computer Science<o:p></o:p></p>
<p class="MsoNormal">Stocker Center 331<o:p></o:p></p>
<p class="MsoNormal">1 Ohio University Drive<o:p></o:p></p>
<p class="MsoNormal">Athens OH 45701-2979<o:p></o:p></p>
<p class="MsoNormal">T:740-593-1572 (office), T:740-593-2067 (office), C:740-707-4936<o:p></o:p></p>
<p class="MsoNormal">E: <a href="mailto:jadwisie@ohio.edu"><span style="color:#0563C1">jadwisie@ohio.edu</span></a>
<o:p></o:p></p>
<p class="MsoNormal"><a href="http://www.ohio.edu/engineering/eecs"><span style="color:#0563C1">www.ohio.edu/engineering/eecs</span></a>
<o:p></o:p></p>
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<p class="MsoNormal"><b>From:</b> Sharma, Sumit <<a href="mailto:sharmas@ohio.edu">sharmas@ohio.edu</a>>
<br>
<b>Sent:</b> Tuesday, August 16, 2022 12:05 PM<br>
<b>To:</b> Staggs, Joni <<a href="mailto:staggs@ohio.edu">staggs@ohio.edu</a>><br>
<b>Subject:</b> CHE7200: Molecular Simulations course<o:p></o:p></p>
</div>
</div>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Dear Joni, <o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I am teaching CHE7200: Molecular Simulations course in the Fall semester. There is good interest among the NQPI community for molecular simulations, so I would appreciate if you could forward this information to everyone. There are a few
seats left, but I should be able to accommodate a larger class, if needed. The course will be taught T/Th from 9.30 am to 10.50 am.
<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"> <o:p></o:p></p>
<p class="MsoNormal"><u>Description:</u> The objective of this course is to provide students with a working knowledge of classical molecular simulations. The theory and important concepts of molecular simulations will be covered. The students will write simple
molecular dynamics and Monte Carlo codes and perform analyses. <o:p></o:p></p>
<p class="MsoNormal"> <o:p></o:p></p>
<p class="MsoNormal"><u>Syllabus: </u><o:p></o:p></p>
<p class="MsoNormal">1. Review of Basic Concepts: Theory of Statistical Mechanics, Intermolecular Interactions and Potential Energy Surfaces<o:p></o:p></p>
<p class="MsoNormal">2. Molecular Dynamics: Microcanonical and other ensembles, Constrained simulations, non-equilibrium approaches, how to analyze results (radial distribution functions, probability distribution, ensemble averages, autocorrelation functions,
transport properties). <o:p></o:p></p>
<p class="MsoNormal">3. Monte Carlo Methods: Random Walks and Markov chains, Metropolis Algorithm in various ensembles, Biased Monte Carlo Schemes<o:p></o:p></p>
<p class="MsoNormal">4. Free Energy Estimations: Generating Free Energy Landscapes, Collective Variables<o:p></o:p></p>
<p class="MsoNormal">5. Rare Event Simulations: Transition path sampling, forward flux sampling, Umbrella sampling, Meta-dynamics, Weighted Histogram methods.
<o:p></o:p></p>
<p class="MsoNormal">6. Using available Molecular Simulations codes for different applications: LAMMPS, GROMACS.
<o:p></o:p></p>
<p class="MsoNormal"> <o:p></o:p></p>
<p class="MsoNormal"><u>Evaluation</u>: Students are evaluated on their molecular dynamics and Monte Carlo codes. They are also given theory-based homework assignments. There are no exams in this course.
<o:p></o:p></p>
<p class="MsoNormal"> <o:p></o:p></p>
<p class="MsoNormal">Best Wishes, <o:p></o:p></p>
<p class="MsoNormal">Sumit<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal" style="background:white"><span style="font-size:10.5pt;color:#666666;border:none windowtext 1.0pt;padding:0in">Sumit Sharma</span><span style="font-size:10.5pt;color:#62594E;border:none windowtext 1.0pt;padding:0in"><br>
</span><span style="font-size:10.5pt;color:#666666;border:none windowtext 1.0pt;padding:0in">Associate Professor</span><span style="font-size:12.0pt;font-family:"Times New Roman",serif;color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span style="font-size:10.5pt;color:#666666;border:none windowtext 1.0pt;padding:0in">Department of Chemical and Biomolecular Engineering</span><span style="font-size:12.0pt;font-family:"Times New Roman",serif;color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span style="font-size:10.5pt;color:#666666;border:none windowtext 1.0pt;padding:0in">181 Stocker Center<br>
1 Ohio University<br>
Athens OH 45701-2979</span><span style="font-size:10.5pt;color:#62594E;border:none windowtext 1.0pt;padding:0in"><br>
</span><span style="font-size:10.5pt;color:#666666;border:none windowtext 1.0pt;padding:0in">T: 740.593.1425</span><span style="font-size:12.0pt;font-family:"Times New Roman",serif;color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:10.5pt;color:#666666;border:none windowtext 1.0pt;padding:0in;background:white">M: 503.209.7165</span><span style="font-size:12.0pt;font-family:"Times New Roman",serif;color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:10.5pt;color:black;border:none windowtext 1.0pt;padding:0in;background:white"><a href="mailto:sharmas@ohio.edu"><span style="color:blue">sharmas@ohio.edu</span></a></span><span style="font-size:10.5pt;border:none windowtext 1.0pt;padding:0in;background:white"><o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:10.5pt;color:black">website: <a href="https://nam11.safelinks.protection.outlook.com/?url=http%3A%2F%2Fsharma-research.com%2F&data=05%7C01%7Ceecs_mscs%40listserv.ohio.edu%7Cc2b9e269ad4c4105125608da805f6857%7Cf3308007477c4a70888934611817c55a%7C0%7C0%7C637963444500760564%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=jZ70babTlaZH2Uimn77v7FBIs8mA5gFDqZ57%2FAcTJb0%3D&reserved=0" originalsrc="http://sharma-research.com/" shash="Nbcpnv3l9j6WW/Ifw6onECxyXrlK/mmi8X+zkPtju3D1wMHXpl5z3okHw8wWwFjpidoUK9Txpg6BVbeAyYsnGrzYIECuN2tbuIZWWNh+UxTkuuA4kNZVuBy6nkgoI9c2eoBcI3bdCiS8DD3lNo9wKcYhW+QmpB3NXlZvsZlOkOI=">
<span style="color:blue">http://sharma-research.com/</span></a> <o:p></o:p></span></p>
<p class="MsoNormal" style="line-height:18.0pt;background:white"><span style="font-family:"Trebuchet MS",sans-serif;color:#62594E"><img border="0" width="237" height="67" style="width:2.4687in;height:.6979in" id="Picture_x0020_1" src="cid:image001.gif@01D8B167.E561A840"></span><span style="font-size:12.0pt;font-family:"Times New Roman",serif;color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><b><span style="font-size:10.5pt;color:#006633;border:none windowtext 1.0pt;padding:0in">Russ College of Engineering and Technology</span></b><span style="font-size:12.0pt;font-family:"Times New Roman",serif;color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
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<div class="WordSection1">
<p class="MsoNormal">Please see below.<o:p></o:p></p>
<p class="MsoNormal">Best regards,<o:p></o:p></p>
<p class="MsoNormal">Dr.J<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<div>
<p class="MsoNormal">Wojciech M. Jadwisienczak<o:p></o:p></p>
<p class="MsoNormal">Professor of Electrical Engineering<o:p></o:p></p>
<p class="MsoNormal">Graduate Chair <o:p></o:p></p>
<p class="MsoNormal">Section Editor, Journal of Electronic Materials<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Russ College of Engineering and Technology<o:p></o:p></p>
<p class="MsoNormal">School of Electrical Engineering and Computer Science<o:p></o:p></p>
<p class="MsoNormal">Stocker Center 331<o:p></o:p></p>
<p class="MsoNormal">1 Ohio University Drive<o:p></o:p></p>
<p class="MsoNormal">Athens OH 45701-2979<o:p></o:p></p>
<p class="MsoNormal">T:740-593-1572 (office), T:740-593-2067 (office), C:740-707-4936<o:p></o:p></p>
<p class="MsoNormal">E: <a href="mailto:jadwisie@ohio.edu"><span style="color:#0563C1">jadwisie@ohio.edu</span></a>
<o:p></o:p></p>
<p class="MsoNormal"><a href="http://www.ohio.edu/engineering/eecs"><span style="color:#0563C1">www.ohio.edu/engineering/eecs</span></a>
<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
</div>
<div>
<div style="border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0in 0in 0in">
<p class="MsoNormal"><b>From:</b> Sharma, Sumit <<a href="mailto:sharmas@ohio.edu">sharmas@ohio.edu</a>>
<br>
<b>Sent:</b> Tuesday, August 16, 2022 12:05 PM<br>
<b>To:</b> Staggs, Joni <<a href="mailto:staggs@ohio.edu">staggs@ohio.edu</a>><br>
<b>Subject:</b> CHE7200: Molecular Simulations course<o:p></o:p></p>
</div>
</div>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Dear Joni, <o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I am teaching CHE7200: Molecular Simulations course in the Fall semester. There is good interest among the NQPI community for molecular simulations, so I would appreciate if you could forward this information to everyone. There are a few
seats left, but I should be able to accommodate a larger class, if needed. The course will be taught T/Th from 9.30 am to 10.50 am.
<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"> <o:p></o:p></p>
<p class="MsoNormal"><u>Description:</u> The objective of this course is to provide students with a working knowledge of classical molecular simulations. The theory and important concepts of molecular simulations will be covered. The students will write simple
molecular dynamics and Monte Carlo codes and perform analyses. <o:p></o:p></p>
<p class="MsoNormal"> <o:p></o:p></p>
<p class="MsoNormal"><u>Syllabus: </u><o:p></o:p></p>
<p class="MsoNormal">1. Review of Basic Concepts: Theory of Statistical Mechanics, Intermolecular Interactions and Potential Energy Surfaces<o:p></o:p></p>
<p class="MsoNormal">2. Molecular Dynamics: Microcanonical and other ensembles, Constrained simulations, non-equilibrium approaches, how to analyze results (radial distribution functions, probability distribution, ensemble averages, autocorrelation functions,
transport properties). <o:p></o:p></p>
<p class="MsoNormal">3. Monte Carlo Methods: Random Walks and Markov chains, Metropolis Algorithm in various ensembles, Biased Monte Carlo Schemes<o:p></o:p></p>
<p class="MsoNormal">4. Free Energy Estimations: Generating Free Energy Landscapes, Collective Variables<o:p></o:p></p>
<p class="MsoNormal">5. Rare Event Simulations: Transition path sampling, forward flux sampling, Umbrella sampling, Meta-dynamics, Weighted Histogram methods.
<o:p></o:p></p>
<p class="MsoNormal">6. Using available Molecular Simulations codes for different applications: LAMMPS, GROMACS.
<o:p></o:p></p>
<p class="MsoNormal"> <o:p></o:p></p>
<p class="MsoNormal"><u>Evaluation</u>: Students are evaluated on their molecular dynamics and Monte Carlo codes. They are also given theory-based homework assignments. There are no exams in this course.
<o:p></o:p></p>
<p class="MsoNormal"> <o:p></o:p></p>
<p class="MsoNormal">Best Wishes, <o:p></o:p></p>
<p class="MsoNormal">Sumit<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal" style="background:white"><span style="font-size:10.5pt;color:#666666;border:none windowtext 1.0pt;padding:0in">Sumit Sharma</span><span style="font-size:10.5pt;color:#62594E;border:none windowtext 1.0pt;padding:0in"><br>
</span><span style="font-size:10.5pt;color:#666666;border:none windowtext 1.0pt;padding:0in">Associate Professor</span><span style="font-size:12.0pt;font-family:"Times New Roman",serif;color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span style="font-size:10.5pt;color:#666666;border:none windowtext 1.0pt;padding:0in">Department of Chemical and Biomolecular Engineering</span><span style="font-size:12.0pt;font-family:"Times New Roman",serif;color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span style="font-size:10.5pt;color:#666666;border:none windowtext 1.0pt;padding:0in">181 Stocker Center<br>
1 Ohio University<br>
Athens OH 45701-2979</span><span style="font-size:10.5pt;color:#62594E;border:none windowtext 1.0pt;padding:0in"><br>
</span><span style="font-size:10.5pt;color:#666666;border:none windowtext 1.0pt;padding:0in">T: 740.593.1425</span><span style="font-size:12.0pt;font-family:"Times New Roman",serif;color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:10.5pt;color:#666666;border:none windowtext 1.0pt;padding:0in;background:white">M: 503.209.7165</span><span style="font-size:12.0pt;font-family:"Times New Roman",serif;color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:10.5pt;color:black;border:none windowtext 1.0pt;padding:0in;background:white"><a href="mailto:sharmas@ohio.edu"><span style="color:blue">sharmas@ohio.edu</span></a></span><span style="font-size:10.5pt;border:none windowtext 1.0pt;padding:0in;background:white"><o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:10.5pt;color:black">website: <a href="https://nam11.safelinks.protection.outlook.com/?url=http%3A%2F%2Fsharma-research.com%2F&data=05%7C01%7Ceecs_mscs%40listserv.ohio.edu%7Cc2b9e269ad4c4105125608da805f6857%7Cf3308007477c4a70888934611817c55a%7C0%7C0%7C637963444500760564%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=jZ70babTlaZH2Uimn77v7FBIs8mA5gFDqZ57%2FAcTJb0%3D&reserved=0" originalsrc="http://sharma-research.com/" shash="Nbcpnv3l9j6WW/Ifw6onECxyXrlK/mmi8X+zkPtju3D1wMHXpl5z3okHw8wWwFjpidoUK9Txpg6BVbeAyYsnGrzYIECuN2tbuIZWWNh+UxTkuuA4kNZVuBy6nkgoI9c2eoBcI3bdCiS8DD3lNo9wKcYhW+QmpB3NXlZvsZlOkOI=">
<span style="color:blue">http://sharma-research.com/</span></a> <o:p></o:p></span></p>
<p class="MsoNormal" style="line-height:18.0pt;background:white"><span style="font-family:"Trebuchet MS",sans-serif;color:#62594E"><img border="0" width="237" height="67" style="width:2.4687in;height:.6979in" id="Picture_x0020_1" src="cid:image001.gif@01D8B167.E561A840"></span><span style="font-size:12.0pt;font-family:"Times New Roman",serif;color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><b><span style="font-size:10.5pt;color:#006633;border:none windowtext 1.0pt;padding:0in">Russ College of Engineering and Technology</span></b><span style="font-size:12.0pt;font-family:"Times New Roman",serif;color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
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