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G. ClavierI am shamefully copying this post from Linkedin but if you happen to know any candidate, do not hesitate to reach:It's on. To my <a href="https://social.sciences.re/tags/ComputationalChemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#ComputationalChemistry</a> network, I am calling on you. 🙇 The PM2E team in the CIMAP laboratory (www.cimap.ensicaen.fr) is looking for a <a href="https://social.sciences.re/tags/PhD" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#PhD</a> hashtag#candidate. The goal of the project is to understand key parameters in <a href="https://social.sciences.re/tags/semiconductor" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#semiconductor</a> defects stability and physics (both vacancies and color centers, see for example: <a href="https://doi.org/10.1016/j.nimb.2022.12.025" rel="nofollow noopener noreferrer" translate="no" target="_blank">https://doi.org/10.1016/j.nimb.2022.12.025</a>) through the use of <a href="https://social.sciences.re/tags/DFT" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#DFT</a> and <a href="https://social.sciences.re/tags/MolecularModeling" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#MolecularModeling</a>. The end goals of the project is concerned with application for <a href="https://social.sciences.re/tags/QuantumComputing" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#QuantumComputing</a> through the making of stable <a href="https://social.sciences.re/tags/qubit" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#qubit</a>. Collaboration and communication with experimentalists will be part of the project.If you're interested in <a href="https://social.sciences.re/tags/MolecularDynamics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#MolecularDynamics</a>, <a href="https://social.sciences.re/tags/MonteCarlo" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#MonteCarlo</a> simulations, or DFT and quantum calculations, we are waiting for you. We are using codes such as <a href="https://social.sciences.re/tags/Lammps" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#Lammps</a> and <a href="https://social.sciences.re/tags/QuantumEspresso" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#QuantumEspresso</a>. We are looking for a candidate finishing or already having a master degree (or equivalent diploma) with training in <a href="https://social.sciences.re/tags/physics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#physics</a>/ <a href="https://social.sciences.re/tags/MaterialsScience" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#MaterialsScience</a> / <a href="https://social.sciences.re/tags/TheoreticalChemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#TheoreticalChemistry</a>. Any experience in programming using <a href="https://social.sciences.re/tags/Python" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#Python</a>, <a href="https://social.sciences.re/tags/C" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#C</a> and the <a href="https://social.sciences.re/tags/Linux" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#Linux</a> environment would be considered a plus.The position is located in Alençon (Orne) between Caen and Le Mans. Founding is assured for relevant candidates.Link to the offer (in french, you can ask for an english version): <a href="https://www.abg.asso.fr/en/candidatOffres/show/id_offre/127985/job/simulation-atomistique-de-defauts-crees-par-irradiation-dans-les-semiconducteurs" rel="nofollow noopener noreferrer" translate="no" target="_blank">https://www.abg.asso.fr/en/candidatOffres/show/id_offre/127985/job/simulation-atomistique-de-defauts-crees-par-irradiation-dans-les-semiconducteurs</a>

G. ClavierJe remet ici l'information: L'équipe PM2E d'Alençon est à la recherche d'un <a href="https://social.sciences.re/tags/stagiaire" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#stagiaire</a> en <a href="https://social.sciences.re/tags/physique" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#physique</a> <a href="https://social.sciences.re/tags/numerique" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#numerique</a> ou <a href="https://social.sciences.re/tags/chimie" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#chimie</a> théorique pour travailler sur la simulation de la stabilité de défauts dans des <a href="https://social.sciences.re/tags/semi_conducteurs" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#semi_conducteurs</a> . L’objectif est de reproduire des simulations avec un modèle à 2 températures dans <a href="https://social.sciences.re/tags/lammps" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#lammps</a> et de les compléter avec des simulations quantiques (avec Quantum Espresso).<a href="https://cimap.ensicaen.fr/wp-content/uploads/2024/12/Sujets-de-stage-M2-VH.pdf" rel="nofollow noopener noreferrer" translate="no" target="_blank">https://cimap.ensicaen.fr/wp-content/uploads/2024/12/Sujets-de-stage-M2-VH.pdf</a>Le sujet pourrait déboucher sur une proposition de <a href="https://social.sciences.re/tags/th%C3%A8se" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#thèse</a> (financement quasiment sûr).

EnthalpisteJ'ai fait une petite simulations rigolote pour vérifier numériquement un vieux truc que j'ai trouvé dans un article de Boltzmann. Si on met une particule dans un plan avec deux ressorts qui ont des constantes de forces k1 et k2, la trajectoire est périodique si k1/k2 est un nombre rationnel: <a href="https://youtu.be/keGGbb2uiB8" rel="nofollow noopener noreferrer" translate="no" target="_blank">https://youtu.be/keGGbb2uiB8</a>Évidemment si c'est pas un nombre rationnel (genre pi), c'est pas périodique: <a href="https://youtu.be/Tty0jFWKkv8" rel="nofollow noopener noreferrer" translate="no" target="_blank">https://youtu.be/Tty0jFWKkv8</a>Voilà, c'est tout pour moi.<a href="https://mastodon.xyz/tags/Physics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#Physics</a> <a href="https://mastodon.xyz/tags/Boltzmann" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#Boltzmann</a> <a href="https://mastodon.xyz/tags/lammps" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#lammps</a> <a href="https://mastodon.xyz/tags/MolecularDynamics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#MolecularDynamics</a>

jobRxivMolecular dynamics and multiscale modelling for sustainability DAIMON Team - CNR-ISMNFull time researcher in <a href="https://mas.to/tags/moleculardynamics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#moleculardynamics</a> and <a href="https://mas.to/tags/multiscalemodelling" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#multiscalemodelling</a> for sustainable materials @CNR-ISMN Bologna, Italy <a href="https://mas.to/tags/Gromacs" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#Gromacs</a> <a href="https://mas.to/tags/LAMMPS" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#LAMMPS</a>See the full job description on jobRxiv: <a href="https://jobrxiv.org/job/daimon-team-cnr-ismn-27778-molecular-dynamics-and-multiscale-modelling-for-su" rel="nofollow noopener noreferrer" translate="no" target="_blank">https://jobrxiv.org/job/daimon-team-cnr-ismn-27778-molecular-dynamics-and-multiscale-modelling-for-su</a>... <a href="https://jobrxiv.org/job/daimon-team-cnr-ismn-27778-molecular-dynamics-and-multiscale-modelling-for-sustainability/?feed_id=69895" rel="nofollow noopener noreferrer" translate="no" target="_blank">https://jobrxiv.org/job/daimon-team-cnr-ismn-27778-molecular-dynamics-and-multiscale-modelling-for-sustainability/?feed_id=69895</a>

EnthalpisteHappy to see another command I worked on merged in the LAMMPS code.Langevin barostat is now available to use, thanks to the dev team which is of very wise help.Waiting for users feedback, if any. 😊<a href="https://mastodon.xyz/tags/science" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#science</a> <a href="https://mastodon.xyz/tags/lammps" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#lammps</a> <a href="https://mastodon.xyz/tags/MolecularSimulation" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#MolecularSimulation</a> <a href="https://mastodon.xyz/tags/MolecularDynamics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#MolecularDynamics</a>

vsochCross posted from Twitter!Hey <a href="https://mastodon.social/tags/HPC" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#HPC</a> community! I'm doing some fun work to containerize and test traditional workloads with some cool <a href="https://mastodon.social/tags/FluxFramework" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#FluxFramework</a> orchestration - I've already done <a href="https://mastodon.social/tags/amg" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#amg</a> <a href="https://mastodon.social/tags/lammps" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#lammps</a> and <a href="https://mastodon.social/tags/qmcpack" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#qmcpack</a> dummy examples and <a href="https://mastodon.social/tags/Snakemake" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#Snakemake</a> 🐍 is up next! Can you point me to others you like? Thank you! 🙏

Christian Vanhille Campos<a href="https://mas.to/tags/LAMMPS" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#LAMMPS</a> really is just playing games with us sometimes

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