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Predictive Modeling of High-Entropy Alloys and Amorphous Metallic Alloys Using Machine Learning pubs.acs.org/doi/10.1021/ac… @sgj30 #JCIM Vol64 Issue19 #MachineLearning #DeepLearning
pubs.acs.org
Predictive Modeling of High-Entropy Alloys and Amorphous Metallic Alloys Using Machine Learning
High entropy alloys and amorphous metallic alloys represent two distinct classes of advanced alloy materials, each with unique structural characteristics. Their emergence has garnered considerable...
Dramatically Enhancing Multiphoton Harvesting Metal–Organic Frameworks for NIR-II Photocatalysis through Functional Regulation of Octupolar Molecules dx.doi.org/10.1021/acsami…
New paper out in @JCIM_JCTC! #OpenAccess #compchem van der Waals Radii of Free and Bonded Atoms from Hydrogen (Z = 1) to Oganesson (Z = 118) doi.org/10.1021/acs.jc…
Bonding Analyses in the Broad Realm of Intermetallics: Understanding the Role of Chemical Bonding in the Design of Novel Materials By Simon Steinberg et al. @RWTH Read the paper 👉 go.acs.org/aGt
PRB Editors' Suggestion: #Moiré #metal for #catalysis Yang Zhang, Claudia Felser, and Liang Fu Phys. Rev. B 110, L041407 ➡️ go.aps.org/4c6ASQ4 #PRBLetter #EdSugg #physics #condmat @APSPhysics
The Materials Science and Renewable Energy Group (MatER) of the Pontifical Catholic University of Peru is organizing the Seminar on Materials Science 2024. It will be focused on the Physics of Multifunctional Semiconducting Materials. More information at: lnkd.in/dKd43xm8
p-Block Metal Oxide as an Efficient Electrocatalyst for Boosting Ambient Ammonia Synthesis dx.doi.org/10.1021/acs.en…
pubs.acs.org
p-Block Metal Oxide as an Efficient Electrocatalyst for Boosting Ambient Ammonia Synthesis
The electrocatalytic nitrogen reduction reaction (NRR) offers a promising alternative to the traditional Haber–Bosch process for producing NH3 under ambient conditions. Designing efficient electroc...
Development of Pd-immobilized porous polymer catalysts via Bayesian optimization #machinelearning #compchem nature.com/articles/s4142…
Complexes with electron-rich metals have high potential as catalysts for chemical transformations such as CO2 capture and utilization, selective conversion of CH4 to CH3OH, fixation of N2, water splitting, and recycling of perfluorochemicals. @miliordos go.acs.org/9H4
High-entropy alloy electrocatalysts go to (sub-)nanoscale | Science Advances science.org/doi/10.1126/sc…
pyCOFBuilder: A Python Package for Automated Creation of Covalent Organic Framework Models Based on the Reticular Approach pubs.acs.org/doi/10.1021/ac… @FeliipeLopess @pierreesteves #JCIM Vol64 Issue8 #compchem
#HighlightOfTheWeek 100 years of the Lennard-Jones potential. #compchem pubs.acs.org/doi/10.1021/ac…
The Historical Development of the Concepts Underlying the Design and Construction of Targeted Coordination Polymers/MOFs: A Personal Account onlinelibrary.wiley.com/doi/10.1002/tc…
Machine learning: An accelerator for the exploration and application of advanced metal-organic frameworks sciencedirect.com/science/articl…
🛰️ | La NASA liberó imágenes de Marte, con sonido original.
Quantum Definition of Molecular Structure #machinelearning #compchem pubs.acs.org/doi/abs/10.102…
Temperature-Dependent Selection of Reaction Pathways, Reactive Species, and Products during Postsynthetic Selenization of Copper Sulfide #Nanoparticles By Katherine E. Plass, @RaySchaak et al. @FandMCollege @penn_state Read the paper 👉 go.acs.org/7n8
Modelling and advanced characterization of framework materials nature.com/articles/s4200…
As part of the support program of the undergrads students at Pontificia Universidad Católica del Perú (Re inventa), we present this poster with the student, Daniela López, showing part of our work and some progress of my master´s thesis.
Impact of surface complexity of individual catalytic nanoparticles on cooperative communications that stimulate subsequent redox reactions is explored. @srabantichaudh2 @tolik314 go.acs.org/6B6
pubs.acs.org
How Heterogeneity Affects Cooperative Communications within Single Nanocatalysts
Catalysis remains one of the most essential methods in chemical research and industry. Recent experiments have discovered an unusual phenomenon of catalytic cooperativity, when a reaction at one...
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