
Theoretical & computational chemist #compchem #HPC #Recherche #EnseignementSup #ESR #Université #CharlevilleMézières #Ardennes **Perso acc**RTs not endorsements
Charleville-Mézières, France
Joined June 2009
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👋Hi @LatinXChem, presenting our work🖥️‘IGMPlot: A More Comprehensive Toolkit for Better Understanding the Structure and Reactivity of Complex Chemical Systems’🧬🧪⚗️⚛️at #LatinXChem24 #LatinXChemComp #Comp022 #CompChem #Chemistry #ElectronDensity #Descriptor #IGMPlot #ELF #DFT
Hassan Khartabil retweeted
Opportunities (2) for computational chemists at Johnson & Johnson (Beerse Belgium | Spring House PA USA | La Jolla CA USA) ref: R-100091 | closing: 11-Oct-2026 #CADD #CompChem #cheminformatics #ChemJobs
jj.wd5.myworkdayjobs.com/JJ/…
Hassan Khartabil retweeted
PhD position in electronic-structure theory for molecular properties. Work on MR methods, DFT, nonlinear optical prop., and TM chem. across @DIMOCAT_iqcc @IQAC_CSIC @DonostiaChemDev FPI contract; start Jan-Jul 2027. Deadline 30 Nov 2026. See: ematito.dipc.org/ #compchem
Hassan Khartabil retweeted
One Research Associate (I) position is available in our group for 6 months, with a possible extension for another 6 months, subject to the availability of funds. Interested candidates are requested to apply online by 13 September, 5:00 PM lnkd.in/dXK_XumY #compchem #Job
#ICIQJobs
📣 Looking for an exciting #PhD opportunity in one of the leading scientific research institutes? Join Prof. Núria López' research group at ICIQ! #compchem
▶️ Project: Modelling Electrochemical Interfaces
📆 Deadline: 15 September
Apply 🔗 careers.iciq.org/jobs/829602…
Hassan Khartabil retweeted
Opportunity for industrial placement student in computational chemistry at AstraZeneca (Cambridge UK) ref: R-257921 | start: 06-Sep-2027 | closing: 02-Oct-2026 #CompChem #cheminformatics #CADD #DrugDesign #DrugDiscovery
careers.astrazeneca.com/job/…
Hassan Khartabil retweeted
We are hiring a postdoc on very large-scale protein modeling and free energy calculation for protein-ligand and membrane protein systems. Join us at @MSFTResearch to develop the next generation of AI models for biomolecular dynamics and function.
apply.careers.microsoft.com/…
Hassan Khartabil retweeted
Opportunity for machine learning scientist at onepot (South San Francisco CA USA) #ML #cheminformatics #CompChem #ChemJobs
onepot.ai/careers/f8bb44c4-0…
Hassan Khartabil retweeted
📢 New Special Issue Open for Submissions: Electrocatalytic Carbon Dioxide Reduction
✏️ Guest edited by Dr. Guillermo Díaz Sainz and Dr. Shailendra K. Maurya
🔗 Issue: brnw.ch/21x4N2C
📌 #CO2Reduction #Electrocatalysis #CarbonCapture #Electrochemistry #Chemistry
Hassan Khartabil retweeted
Opportunity for computational scientist focussing on #peptide therapeutic discovery at Genentech (South San Francisco CA USA) ref: 202605-112433 #CompChem #cheminformatics #ML #ChemJobs
careers.gene.com/us/en/job/2…
Hassan Khartabil retweeted
Opportunity in 3D molecular modelling at Optibrium (UK) #CompChem #cheminformatics #UKChemJobs #ChemJobs
optibrium.com/jobs/senior-or…
Hassan Khartabil retweeted
📢 We are hiring PhD students in the Data-Driven Materials Design group at @Leibniz_INM / @Saar_Uni / @DFKI in Saarbrücken, Germany.
Apply here:
leibniz-inm.softgarden.io/jo…
#machinelearning #ai4science #compchem
Hassan Khartabil retweeted
Very sad that Ken Wiberg passed yesterday at age 98. He was a wonderful scientist, colleague and leader in physical organic chemistry. His theory-driven synthesis of [1.1.1]propellane is a classic and inspiration for the use of strain in many contexts.
Hassan Khartabil retweeted
Opportunity for chemical biology facilities manager at Imperial College (London UK) ref: NAT02201 | closing: 03-Jun-2026 #ChemBiol #UKChemJobs #ChemJobs
imperial.ac.uk/jobs/search-j…
Hassan Khartabil retweeted
Joint JCIM & JCTC @JCIM_JCTC editorial: Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry. #compchem
pubs.acs.org/doi/10.1021/acs…
Hassan Khartabil retweeted
Just published! @ampendas and I explored how NQEs impact real-space chemical bonding indicators. Spoiler: they do change much more than (at least me) expected! #Chembond #compchem
Specially dedicated to a friend and co-worker who left us too early 🕊️
pubs.aip.org/aip/jcp/article…
Hassan Khartabil retweeted
The latest release of Skala is out! Accuracy largely improved beyond hybrids at semilocal cost! #compchem
Today we're sharing a major Skala update: new paper and model release. Skala is a deep-learned XC functional for DFT: 2.8 kcal/mol on GMTKN55, wins 32/55 subsets & surpasses SOTA hybrids in accuracy at semi-local cost.
Paper: arxiv.org/abs/2506.14665
Code: github.com/microsoft/skala
Hassan Khartabil retweeted
#Simplifier enfin la vie de nos élus locaux, c’est le sens du combat que je mène depuis plusieurs années.
En 2024, j’ai remis un rapport au Gouvernement avec une #ambition claire : mettre fin à l’inflation normative qui étouffe nos collectivités et, plus largement, l’action publique locale. Trop de règles, trop de complexité, trop de temps perdu et d’argent gaspillé, au détriment du service rendu aux citoyens.
Le projet de loi présenté en Conseil des ministres s’inscrit dans le droit fil de ce travail.
👉 Plus de 100 mesures de simplification issues largement de ce rapport
👉 Des #allègements concrets pour le fonctionnement des conseils municipaux et intercommunaux
👉 Une gestion des ressources humaines #facilitée
👉 Des démarches #simplifiées pour les usagers dans des domaines du quotidien
👉 Un rôle #renforcé du Conseil national d’évaluation des normes pour éviter de recréer de la complexité demain
Ce texte n’est pas une réforme technocratique de plus. C’est la traduction d’un #constat de terrain, partagé avec des centaines d’élus : nous avons besoin de liberté pour agir, pas de contraintes supplémentaires.
Je me réjouis que ce travail engagé en 2024 trouve aujourd’hui une traduction législative. C’est une étape importante, mais il faudra aller plus loin pour libérer pleinement l’action locale.
La simplification n’est pas un luxe. C’est une condition de l’efficacité publique.
🔗 elysee.fr/emmanuel-macron/20…
#RapportRavignon
EN DIRECT | Discours du Président @EmmanuelMacron à l’occasion d’une réception des maires au Palais de l’Élysée. xitter.cf/i/broadcasts/1yGBeMlRQ…
Hassan Khartabil retweeted
Thrilled to be attending UPenn soon to participate in the PCTC26 conference PCTC.regfox.com/pctc26
Hassan Khartabil retweeted
#PostDoc opportunity in discovery of chemical probes at UCL (London UK) ref: B02-10376 | duration: 2 years | closing: 10-May-2026 #ChemBiol #PostDocJobs
ucl.ac.uk/work-at-ucl/search…























