<div dir="ltr"><div><div dir="ltr"><b style="color:rgb(80,0,80)">Los esperamos con café 15 minutos antes de la charla en el lobby del instituto</b><span style="color:rgb(80,0,80)">.</span> </div><div dir="ltr"><br></div><div dir="ltr" style="text-align:center"><b style="color:rgb(106,168,79)"><font size="4">Charla IFLYSIB</font></b></div><div dir="ltr" style="text-align:center"><b style="color:rgb(106,168,79)"><font size="4">Viernes 15/03/2024, 10:30hs.</font></b></div><div dir="ltr" style="text-align:center"><b style="color:rgb(106,168,79)"><font size="2">Lugar: IFLySiB (59 #789 e/10 y 11, La Plata)</font></b></div><div dir="ltr" style="text-align:center"><b style="color:rgb(106,168,79)"><font size="2"><br></font></b></div><div style="text-align:left"><b><font style="color:rgb(255,153,0)" size="2">La charla</font><span style="color:rgb(255,153,0)"><font size="2"> </font><font size="2">será presencial pero </font></span></b><b><span style="color:rgb(255,153,0)"><font size="2">también</font></span></b><b><span style="color:rgb(255,153,0)"><font size="2"> será transmitida vía Zoom en:</font></span></b><span style="color:rgb(0,0,0)"><font size="2"> </font></span><a href="https://utn.zoom.us/j/89038134365" target="_blank">https://utn.zoom.us/j/89038134365</a></div><div style="text-align:left"><br></div><div dir="ltr"><br></div><div dir="ltr"><div dir="ltr" class="gmail_attr"><div><b><u>Título</u>: <br></b></div><div><b>Folding and aggregation of alkane chains: A stochastic approximation Monte Carlo study</b></div>
<div><font face="arial, sans-serif"><b><font style="color:rgb(0,0,0);font-size:11pt;text-indent:0.5cm" color="#000000"><font style="font-size:10pt"><br></font></font></b></font></div>
<div><b><u>Expositor</u>: <br></b></div><b>Wolfgang Paul<br>Institut of Physics, Martin-Luther-University Halle-Wittenberg, 06099 Halle, Germany</b></div><div dir="ltr" class="gmail_attr"><br><div dir="ltr" class="gmail_attr"><div><b><u>Resumen</u>: <br></b></div><div><b>We will first discuss the mathematics behind the stochastic approximation Monte Carlo method which is a version of the Wang-Landau idea formulated in the mathematical community. Interestingly, it can be formulated as the realization of a renormalization group mapping [1]. We will then continue to present an application to the phase behavior of single alkane chains of varying length. We will show that the structure formation upon collapse of short chains can be best described in a language we are more used to applying to protein folding [2]. Only for longer chains does the lamellar crystal appear as the ordered state. For the shorter chains we also investigate the aggregation and ordering of clusters of few chains and extrapolate the behavior to the thermodynamic limit [3]. Where available we compare to experimental data and find very good agreement.<br><br></b><u>References</u>:<br>[1] S. V. Zhablotsky, V. A. Ivanov, W. Paul, Phys. Rev. E 93, 063303 (2016).<br>[2] T. Shakirov, W. Paul, J. Chem. Phys. 150, 084903 (2019)<br>[3] T. Shakirov, W. Paul, J. Chem. Phys4 158, 094905 (2023)</div></div></div></div></div><div><br></div><div><br></div><br><span class="gmail_signature_prefix">-- </span><br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><font size="4"><span style="font-family:arial"><b>Comisión ChIFLy</b></span></font></div><div><span style="font-family:arial;font-size:small">______________________________________________</span></div><span style="font-family:arial"><div style="font-size:small"><span style="font-family:arial;font-size:small"><br></span></div></span><span style="color:rgb(29,34,40);font-family:"Helvetica Neue",Helvetica,Arial,sans-serif">Si no tenés interés en recibir los avisos de las chiflys, escribinos.</span><br></div></div></div></div></div></div></div></div></div>