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Impact of surface complexity of individual catalytic nanoparticles on cooperative communications that stimulate subsequent redox reactions is explored. srabanti chaudhury Anatoly Kolomeisky go.acs.org/6B6

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.

Temperature-Dependent Selection of Reaction Pathways, Reactive Species, and Products during Postsynthetic Selenization of Copper Sulfide #Nanoparticles By Katherine E. Plass, Ray Schaak et al. Franklin & Marshall Penn State Read the paper 👉 go.acs.org/7n8

Modelling and advanced characterization of framework materials nature.com/articles/s4200…

Quantum Definition of Molecular Structure #machinelearning #compchem pubs.acs.org/doi/abs/10.102…

🛰️ | La NASA liberó imágenes de Marte, con sonido original. x.com/Levandov_2/sta…

Machine learning: An accelerator for the exploration and application of advanced metal-organic frameworks sciencedirect.com/science/articl…

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…

#HighlightOfTheWeek 100 years of the Lennard-Jones potential. #compchem pubs.acs.org/doi/10.1021/ac…

pyCOFBuilder: A Python Package for Automated Creation of Covalent Organic Framework Models Based on the Reticular Approach pubs.acs.org/doi/10.1021/ac… Felipe Lopes Oliveira Pierre Mothé Esteves #JCIM Vol64 Issue8 #compchem

High-entropy alloy electrocatalysts go to (sub-)nanoscale | Science Advances science.org/doi/10.1126/sc…

p-Block Metal Oxide as an Efficient Electrocatalyst for Boosting Ambient Ammonia Synthesis dx.doi.org/10.1021/acs.en…

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. Evangelos Miliordos go.acs.org/9H4

Development of Pd-immobilized porous polymer catalysts via Bayesian optimization #machinelearning #compchem nature.com/articles/s4142…

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

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 American Physical Society

New paper out in JCIM & JCTC Journals! #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…

Dramatically Enhancing Multiphoton Harvesting Metal–Organic Frameworks for NIR-II Photocatalysis through Functional Regulation of Octupolar Molecules dx.doi.org/10.1021/acsami…

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 Aachen Read the paper 👉 go.acs.org/aGt

Predictive Modeling of High-Entropy Alloys and Amorphous Metallic Alloys Using Machine Learning pubs.acs.org/doi/10.1021/ac… Son Gyo Jung #JCIM Vol64 Issue19 #MachineLearning #DeepLearning