<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Dear colleagues,<div class=""><br class=""></div><div class="">I have a 1y post-doc position on "Reactivity of Water and Radicals at Crystalline Cellulose Surfaces"</div><div class=""><a href="http://ic2mp.labo.univ-poitiers.fr/index.php/avada_portfolio/24-septembre-2018-postdoc-1-year-at-ic2mp/" class="">http://ic2mp.labo.univ-poitiers.fr/index.php/avada_portfolio/24-septembre-2018-postdoc-1-year-at-ic2mp/</a></div><div class=""><br class=""></div><div class="">I am looking for a post-doc using QM/MM approaches for periodic systems to model water-cellulose interface, ideally an expert in CP2K. </div><div class=""><br class=""></div><div class="">Best regards,</div><div class=""><br class=""></div><div class="">Pr. Frapper G.</div><div class="">IC2MP - <a href="mailto:gilles....@univ-poitiers.fr" class="">gilles....@univ-poitiers.fr</a> </div><div class=""><br class=""></div><div class="">Poitiers is at 1h20 from Paris (TGV), 1h30 from ocean (La Rochelle) and 2h from Bordeaux. </div><div class="">------------------------------------------------------------------------------------------------------------------------------------------------------</div><div class="">Postdoc 1 year: Reactivity of Water and Radicals at Crystalline Cellulose Surfaces<br class=""><br class="">Post-doctoral position at IC2MP, Poitiers (France)<br class=""><br class="">A 1 year postdoc position in the field of QM/MM simulations of water-cellulose interfaces is available at the Theoretical Chemistry group of Dr. Gilles Frapper at IC2MP (U. Poitiers – CNRS, France). The position is funded by the ANR CelloPlasm.The net salary will be around 2.3 k€ per month (depending on experiences).Partly health insurance (70% in charge of French Social Security), and a social housing support are a plus.<br class=""><br class="">Project:t he postdoc work will consist of applying DFT and/or QM/MM molecular dynamics simulations to the chemical reactivity at water liquid/crystalline cellulose interfaces. Modelling of the solvation effects will be considered as the water-cellulose interactions play a crucial role in the depolymerization process of cellulose. Activation of C-O bonds by water molecules and radicals (ex. OH excited state in non-thermal atmospheric plasma) will be studied. Periodic systems are envisaged, i.e. use of DFT codes as CP2K, VASP, …<br class=""><br class="">Desired qualifications: solid background in physics and chemistry and understanding of quantum mechanics with experience in computational material modeling at the atomic scale and interfaces; requirements: expertise in the modelling of reaction pathways at surfaces through AIMD simulations, experience in computational tools (elaboration of scripts in bash, python,…). Knowledges in QM/MM approaches to model liquid or gas/solid interfaces will be appreciated (CP2K experiences, …); possess a solid track record of research accomplishments. Excellent communication skills in English, both verbal and written, are required.<br class=""><br class="">How to apply: Applications should be sent to <a href="mailto:gilles....@univ-poitiers.fr" class="">gilles....@univ-poitiers.fr</a> as early as possible with the mail subject « Post-doc position« . The application should include:<br class=""><br class=""><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>• a detailed Curriculum Vitae, including a transcript of PhD diploma,<br class=""></div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>• a cover letter describing why you should be considered for this position, answering the following questions: What QM/MM modeling technique(s) do you have expertise in? What liquid or gas/solid interfaces did you look at? What is your experience with molecular dynamics, transition state characterization (if any)? When might you start?<br class=""></div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>• a list of three professors who have supervised you in M.Sc. and PhD research projects or current employers and who are willing to provide a letter of recommendation.<br class=""></div>All documents should be in PDF format and written in English. A short-list of candidates will be made, who will be contacted for an interview over Skype (In CV, Skype address must be included).<br class=""><br class="">The selected candidate is expected to start asap and before 31 december 2018.</div><div class=""><div class="">------------------------------------------------------------------------------------------------------------------------------------------------------</div></div><div class=""><br class=""></div></body></html>