Scientists have found a way to make perovskite crystals both more stable and better at absorbing light. Using powerful X-ray tools, they showed how tiny seed crystals guide the material into a structure that boosts efficiency. https://lnkd.in/gVHZFHZn

📣 New research article: "Catalytic resonance theory for parametric uncertainty of programmable catalysis" by Sallye Gathmann, Ph.D. Seongjoo Jung, and Paul Dauenhauer at University of Minnesota Center for Programmable Energy Catalysis 💡 Highlights •Dynamic OER was simulated for assessing rate enhancement with model parameter uncertainty •Model uncertainty was evaluated for a general reaction for a broad range of chemistries •Dynamic conditions exhibited orders-of-magnitude rate enhancements 👉 Read online: http://dlvr.it/TNKXp2 #catalysis #OER #OxygenEvolutionReaction #Modelling #Model

This tutorial explores the challenges posed by nonlinearities in spectroscopic calibration models, including physical origins, detection strategies, and correction approaches. Read more: https://hubs.li/Q03LmGRJ0

Researchers from Stanford University and KTH Royal Institute of Technology have been able to study chemical reactions in the most detail to date – tracking a single valence electron as ammonia dissociates upon absorption of light, using giant x-ray laser. According to KTH assistant professor Nanna Holmgaard List, the results can be compared to adjusting the image contrast to reveal a faint feature that was invisible before. “That opens up new possibilities for understanding and controlling the molecules, materials and reactions that shape our world,” List says. Read more in the article: https://lnkd.in/dV5ZTZW5

How do you see chemical reactivity?  For decades, scientists could only infer atomic partial charges indirectly. Now, with iSFAC modelling, we can measure them directly from electron diffraction data. This breakthrough, recently published in Nature by Soheil Mahmoudi, Tim Grüne, and collaborators, opens the door to deeper insights into bonding, reactivity, and molecular behaviour - with implications from materials science to drug design. Our SINGLA detector played a role in this work, but what inspires us most is the story itself: how a chance conversation at a conference sparked an idea that has grown into a method that changes crystallography. Links to the articles in the comments! #microED #3DED #SINGLE #DECTRIS #iSFAC Figure: Artistic view of partial charges of histidine. Illustration reproduced with kind permission of Jessica Freivoltová.

I am pleased to share that my latest paper has been published in Computers & Chemical Engineering (Elsevier). 📖 Title: Causal discovery in industrial systems via physics-guided variational attention and probabilistic interventions. In this work, with the much-appreciated collaboration of Alireza Memarian, PhD, E.I.T and supervision of Dr. Biao Huang, we introduce a physics-guided variational attention framework for uncovering true causal relationships in complex industrial processes. The proposed method integrates log-normal variational attention, physics-informed priors derived from operator knowledge, and probabilistic interventions with uncertainty quantification to enhance fault detection and diagnosis under Industry 4.0 conditions. The article is available here: 🔗 https://lnkd.in/gz7-ka7u I look forward to connecting with others interested in causal discovery, process control, and machine learning applications in industrial systems. #CausalDiscovery #ProcessControl #FaultDiagnosis #Industry40 #MachineLearning #ChemicalEngineering #Elsevier #ResearchPublication

Excited to see this great work led by Mohammad Hossein Modirrousta now published in Computers & Chemical Engineering! It was a pleasure to collaborate on this research, where we developed a physics-guided variational attention framework to uncover causal relationships in complex industrial systems. By combining physics-informed priors, probabilistic reasoning, and machine learning, our approach enhances fault detection and diagnosis under Industry 4.0 conditions. You can read the full paper here: https://lnkd.in/gz7-ka7u If you’re interested in causal discovery, process control, or machine learning applications in industrial systems, feel free to reach out to Mohammad Hossein Modirrousta or me. We’d love to connect and discuss ideas!

How do lithium ions really move inside a battery?💡 Prof. Jongwoo Lim’s team found that it’s not just about chemistry — tiny mechanical strains in the material also guide how lithium travels. Using powerful X-ray microscopes, they watched ions move in real time and saw them take surprising paths shaped by stress inside the battery. Published in Nature Communications: https://lnkd.in/g_riffw5 #SNUResearch #NatureCommunications #BatteryResearch #EnergyStorage #Nanoscience 

Delighted to share that our research paper “Numerically Stable Determination of Mixture Critical Points and Loci with PC-SAFT EOS” has now been published in The Journal of Supercritical Fluids. Our dual-route computational framework reliably computes both isolated mixture critical points and continuous critical loci using PC-SAFT EOS while eliminating spurious, non-physical solutions. This work directly addresses one of the major barriers preventing PC-SAFT EOS from practical deployment in industrial compositional simulation and critical phase behavior modeling. By using a stabilization-driven computational approach, we enable PC-SAFT to reliably compute mixture criticality without non-physical stationary points — a key step toward making molecular EOS more viable for real industrial simulation workflows. You can access the paper here: https://lnkd.in/gDgdyGUE I am deeply grateful to my supervisor Dr. Andy Li for his guidance and continued support, and to my colleagues Vishnu Jayaprakash and Changxu Wu for their valuable collaboration throughout this work. #PCSAFT #EquationOfState #CriticalPoints #PhaseBehavior #Thermodynamics

𝗥𝗼𝗼𝗳𝗲𝗿𝘀 𝗡𝗼𝟭 𝗟𝗮𝘂𝗻𝗰𝗵𝗲𝘀 𝗣𝗼𝗹𝘆𝗳𝗹𝗲𝘅 𝗠𝗦: 𝗔𝗱𝘃𝗮𝗻𝗰𝗲𝗱 𝗟𝗶𝗾𝘂𝗶𝗱 𝗪𝗮𝘁𝗲𝗿𝗽𝗿𝗼𝗼𝗳𝗶𝗻𝗴 𝗳𝗼𝗿 𝗧𝗼𝗱𝗮𝘆'𝘀 𝗥𝗼𝗼𝗳𝗶𝗻𝗴 𝗣𝗿𝗼𝗳𝗲𝘀𝘀𝗶𝗼𝗻𝗮𝗹𝘀 📖 Read the article: https://lnkd.in/eKDx27HM The 2025 edition of #LiquidAppliedMembranes highlights an innovative, next-generation polymer technology development from Rubberseal Ltd, setting a new benchmark for liquid applied systems – pairing advanced material science with real-world usability (p22)