<div dir="ltr">As part of the theoretical chemistry seminar series, Prof. Michele Parrinello of ETH Zurich will be giving a talk today from 4-6 PM in 4-163.<div><br></div><div>
        
        
        
<p lang="en-US" class="" align="CENTER" style="margin-bottom:0in"><a name="_GoBack"></a>
<font face="Times New Roman, serif"><font size="4"><b>Challenges and
progress in atomistic molecular dynamics simulations</b></font></font></p>
<p lang="en-US" class="" align="CENTER" style="margin-bottom:0in"><br></p>
<p lang="en-US" class="" align="JUSTIFY" style="margin-bottom:0in">
<font face="Times New Roman, serif">The rapid development of computer
technology and namely algorithms have had deep impact on science. Of
particular significance has been the emergence of realistic atomistic
simulation. These calculations provide precious insight, replace
difficult experiments and predict new phenomenon. Yet in spite of
remarkable progress much remain to be done to widen the scope of
atomistic simulation, especially in the fields of nanotechnology and
biosciences. This require extending the time and length scale of the
system studied. Even more challenging is the need to find appropriate
tools to describe and tame the complexity of the systems of current
interest. We shall review progress in the field. And discuss in some
details recent applications crystal growth from solution and to
protein-ligand binding. </font>
</p><div><br></div>-- <br>Michael Mavros<div>Department of Chemistry, Massachusetts Institute of Technology</div>
</div></div>