ALTEN Portugal’s Post

It is well known that in Kohn–Sham density-functional theory (DFT) using conventional approximations such as the generalised gradient approximation (GGA), the eigen value of the highest occupied molecular orbital (HOMO) is a rather poor approximation to the ionisation energy (IE) of the system under study. HOMO eigenvalues lie well above the negative of the IE when GGA functionals are used. . Link :- https://lnkd.in/gC5rr27H #compchem , #DFT, #Chemistry, #qm , #materialscience BIOVIA Zastra Innovations

𝙒𝙝𝙖𝙩 𝙞𝙛 𝙩𝙤𝙢𝙤𝙧𝙧𝙤𝙬'𝙨 𝙨𝙝𝙞𝙚𝙡𝙙𝙞𝙣𝙜 𝙘𝙤𝙣𝙘𝙧𝙚𝙩𝙚 𝙖𝙜𝙖𝙞𝙣𝙨𝙩 𝙧𝙖𝙙𝙞𝙖𝙩𝙞𝙤𝙣 𝙞𝙣 𝙣𝙪𝙘𝙡𝙚𝙖𝙧 𝙛𝙖𝙘𝙞𝙡𝙞𝙩𝙞𝙚𝙨 𝙬𝙖𝙨 𝙘𝙧𝙖𝙛𝙩𝙚𝙙 𝙛𝙧𝙤𝙢 𝙘𝙪𝙩𝙩𝙞𝙣𝙜-𝙚𝙙𝙜𝙚 𝙘𝙚𝙢𝙚𝙣𝙩 𝙗𝙡𝙚𝙣𝙙𝙨, 𝙚𝙣𝙧𝙞𝙘𝙝𝙚𝙙 𝙬𝙞𝙩𝙝 𝙧𝙚𝙘𝙮𝙘𝙡𝙚𝙙 𝙖𝙜𝙜𝙧𝙚𝙜𝙖𝙩𝙚𝙨? 🛡 ♻ 🏗 This is the ambition of this successful applicants to our ReMade-SME call 👇🏽 TESELA Materiales Innovación y Patrimonio will benefit from: ✳ 24 hours #Neutron beamtime at the ILL - Institut Laue Langevin + ✳ Scientific support, data analysis, and sample preparation carried out by Bettina Schwaighofer ....for 🆓 FREE 🆓- thanks to ReMade@ARI! That is 8 hours beamtime to be split accross: - 𝙽𝚎𝚇𝚃, an instrument that hosts two complementary (and possibly operated simultaneously) imaging set-ups, the first using #neutrons and the second using #Xrays as probes. - 𝚍𝟷𝟽, a neutron reflectometer with horizontal scattering geometry (for vertical surfaces) - 𝚍𝟹𝟹, a Small-Angle Neutron Scattering instrument for the characterization of samples with typical sizes varying from the nanometer scale to few tenth of micrometer.

𝐍𝐞𝐰: 𝐅𝐨𝐜𝐮𝐬𝐞𝐝 𝐄𝐧𝐞𝐫𝐠𝐲 𝐭𝐨 𝐁𝐮𝐢𝐥𝐝 𝐖𝐨𝐫𝐥𝐝'𝐬 𝐅𝐢𝐫𝐬𝐭 𝐋𝐚𝐬𝐞𝐫-𝐁𝐚𝐬𝐞𝐝 𝐍𝐞𝐮𝐭𝐫𝐨𝐧 𝐒𝐨𝐮𝐫𝐜𝐞 𝐟𝐨𝐫 𝐈𝐧𝐝𝐮𝐬𝐭𝐫𝐢𝐚𝐥 𝐔𝐬𝐞 𝐚𝐭 𝐁𝐢𝐛𝐥𝐢𝐬 𝐬𝐢𝐭𝐞 𝐢𝐧 𝐆𝐞𝐫𝐦𝐚𝐧𝐲   Focused Energy is leading a groundbreaking project to develop the world's first laser-driven neutron source for industrial use. The research laboratory and pilot facility will be located at the site of the former fission power plant in Biblis. The project is funded with 20 million euros from the German Federal Ministry of Education and Research. The goal of the project is to demonstrate the potential of laser-driven imaging systems to “see” inside fission waste containers and document what is inside. This non-destructive technology can also be used to ensure bridge safety and identify contraband within cargo containers. Thanks to our partners in this important research project: - Fraunhofer ILT - Helmholtz-Zentrum Dresden-Rossendorf (HZDR) - Photonis Germany - RWE - TRUMPF - Technische Universität Darmstadt 🔗 𝐑𝐞𝐚𝐝 𝐭𝐡𝐞 𝐩𝐫𝐞𝐬𝐬 𝐫𝐞𝐥𝐞𝐚𝐬𝐞 𝐡𝐞𝐫𝐞 ⬇️   #LaserFusion #FusionEnergy #PressRelease #Innovation

📢 Since I started at the Norwegian University of Science and Technology (NTNU) in 2018, my 1st strong industrial collaboration has been with Hexagon Ragasco, on the durability of lightweight gas cylinders!   After few years of working together, we agreed that many research questions cannot be answered within a 3-4 year R&I funded project. Thus, we planned together a longer-term project, outside all norms, a project that is challenging to get external financing for, and needs open industrial mindset!   Currently, at ASEMlab, we are supporting Hexagon Ragasco in this 16-year aging programme, one of its kind experiment worldwide, which is going to give us 'real' estimates of lifetime of a composite product, and to answer several questions we struggle with, in the chaotic field of 'accelerated aging'. Not an easy task, but certainly is worth the effort.   I feel very proud for this collaboration, as among others, it signifies the Norwegian passion, great culture and existence of the 'business-based-on-trust' principle. This is all we need, in order to move our society forward! Certainly, it is the 'one & only' gas cylinder product in the market, backed-up by 'real' scientific experimental data confirming customers' feedback on long term durability!   📷 taken by my father, in my hometown Ptolemaida, Western Macedonia, Greece ;-)  NTNU in Gjøvik (Norwegian University of Science and Technology) #asemlab #NTNU #composites #durability #realaging #acceleratedaging #lifetimeprediction

#Didyouknow? Our cylinders are designed to last several years, and we are working to prove that with science-based methods, which will also confirm our customers' positive feedback on long durability. 🌍 In 2020 we launched a lifetime project that aims to measure accelerated and real time product aging, up to 16 years in 4 regions of the world. We recently received the first cylinders back from 2-years of real age testing, and we are testing and analyzing the cylinders in cooperation with the ASEMlab. Having scientific data to back the lifetime will minimize testing under approval processes and avoid that the products become waste before they reach their real end-of-life. 🌱 Cylinders with a long lifespan contribute to minimizing the use of resources and reducing our impact on the climate. 📸 Our #compositelpgcylinders aged in Greece by Sotirios Grammatikos, Director of ASEMlab and professor at the Norwegian University of Science and Technology (NTNU). More about our #sustainability projects : https://bit.ly/3Rnytbq

Chapter 4 focuses on prebiotic chemistry, led by Laura Rodriguez (and with others including Tyler Roche, Ph.D. and Luke Steller, PhD!) Thanks to Niraja Bapat for inviting me to contribute more than 5 years ago! https://lnkd.in/gNykK7dn

Thrilled to share our latest research project, 'Assessing Suzuki–Miyaura Cross-Coupling with Nickel Catalyst,' presented at the #RSCPoster event today. Diving into the fascinating world of nickel catalysis! 🧪🔬 #ScientificInnovation #Research #RSCCat

💥 I'd like to thank Organisers and Participants of 20th European Conference on the Spectroscopy of Biological Molecules #ECSBM which was held this week in Łódż, Poland, for your contributions, great presentations, interested conversations and lovely atmosphere 👏. 💥💥We always try to support outstanding Young Scientists, that's why #Renishaw granted special awards for the best oral presentation selected by Renishaw and 3 best oral presentations and posters selected by the scientific jury of 20th #ECSBM. Contratulations to the Winners: 🏆 Pjotr Meyvisch🏆 from Department of Geology, Universiteit Gent, Belgium, awared by Renishaw for presentation ttled: "Monitoring the transformation of resistant biomolecules to geomolecules: a micropaleontological perspective and applications". Pjotr caught the attention with very good introduction to a purpose of his research, the orginality of his work and the way it was presented. and 🏆 Wiktoria Korona🏆 from Chemistry Department Jagiellonian University in Cracow, Poland, awared by scientfic jury for the best oral presentation titled: “Library of Spectral Reporters of Metabolic Pathways: Metabolomics based on Multiplex Cell Labeling”. I would like to congratulate 👏 All the Winners of the I20th #ECSBM conference (pictured in the left). Good luck in your future research and see you in the lab! #Renishaw; #Raman; #bioimaging; #applyinnovations

Researchers from the #CDRmare consortium #AIMS3 have published a new Perspectives paper in “Carbon Capture Science & Technology”. In the paper, project leader Achim Kopf and his team of authors present the diverse research and development work they have carried out over the past three years to prepare a CO2 storage experiment in oceanic crust and the results they have achieved. The research highlights include: - two ship expeditions to the Reykjanes Ridge, a marine region south of Iceland, where researchers used seabed drilling, in-situ measurements, and long-term monitoring to prove that CO2 storage in oceanic basalt crust would be feasible; - the development of new low-energy sensors, underwater vehicles, and observation stations that allow the seabed to be monitored for possible CO2 seeps over a larger area than before; - laboratory experiments on the mineralisation of the injected carbon dioxide in young, reactive basalt rock and - the use and further development of numerical models, with the help of which the researchers can simulate the behaviour of CO2 in the reservoir rock over long periods and evaluate and improve strategies for CO2 storage in the oceanic crust. The paper can be downloaded here: https://lnkd.in/eQbTJaxp #mCDR #CDR #Carbonremoval #CO2removal #AIMS3 #CCS CDRmare is a research mission of the Deutsche Allianz Meeresforschung (DAM) funded by the Bundesministerium für Bildung und Forschung and the northern German federal states.

Here's a glimpse of my Mind Map outlining my ambitions to pursue Scientific Knowledge at ITS! Out of the four areas of development offered at ITS, I have chosen Scientific Knowledge to pursue a deeper interest in. #LKMMPraTDIVFTEIC #PemanduFTEIC #BEMFTEIC #ELECTICS #FTEIC