Results 121 to 130 of about 14,571 (201)

Data‐Driven Review and Machine Learning Prediction of Diamond Vacancy Center Synthesis

Advanced Intelligent Systems, EarlyView.
A machine learning framework is applied to photoluminescence spectra to extract linewidths and uncover how NV, SiV, GeV, and SnV centers evolve with growth and processing conditions. Unified normalization and k‐fold validation reveal cross‐method trends and enable rapid prediction of defect size and fabrication parameters, offering a data‐driven route ...
Zhi Jiang, Marco Peres, Carlo Bradac, Gil Gonçalves   +3 more
wiley   +1 more source

Selective control of ligand binding through a distal mutation that alters the protein native ensemble. [PDF]

Proc Natl Acad Sci U S A
Dani R, Kurbah I, Chaurasiya DK, Nath R, Krishnan A, Fushman D, Naganathan AN.   +6 more
europepmc   +1 more source

Artificial Intelligence for Multiscale Modeling in Solid‐State Physics and Chemistry: A Comprehensive Review

Advanced Intelligent Systems, EarlyView.
This review explores the transformative impact of artificial intelligence on multiscale modeling in materials research. It highlights advancements such as machine learning force fields and graph neural networks, which enhance predictive capabilities while reducing computational costs in various applications.
Artem Maevskiy, Vitalii Kapitan, Andrey Ustyuzhanin   +2 more
wiley   +1 more source

Effective primer design for genotype and subtype detection of highly divergent viruses in large scale genome datasets. [PDF]

BMC Bioinformatics
Demiralay B, Can T.
europepmc   +1 more source

Evaluation of Cement Composites with Heavy Metal-Contaminated Recycled Aggregate: Toward Sustainable Utilization. [PDF]

Materials (Basel)
Turk T, Štukovnik P, Marinšek M, Bosiljkov VB.   +3 more
europepmc   +1 more source

Toward a thermodynamic stability order of the phosphorus allotropes. [PDF]

RSC Adv
Bonometti L, Sansone G, Rivera-Almazo M, Usvyat D, Karttunen AJ, Maschio L.   +5 more
europepmc   +1 more source

Multi-phase dataset for bulk Ti and the Ti-6Al-4V alloy. [PDF]

Sci Data
Allen CS, Bartók AP.
europepmc   +1 more source

Hydrogen Activation via Dihydride Formation on a Rh1/Fe3O4(001) Single‐Atom Catalyst

Angewandte Chemie International Edition, EarlyView.
Deuterium (hydrogen) adsorption on single‐atom Rh1/Fe3O4(001) catalyst does not induce D (H) spillover onto the reducible Fe3O4 support. Instead, a Rh1‐dihydride (Rh−2D or Rh−2H) species forms and D2 or H2desorbs during annealing. ABSTRACT Hydrogen activation is a key elementary step in catalytic hydrogenation.
Chunlei Wang, Panukorn Sombut, Lena Puntscher, Nail Barama, Maosheng Hao, Florian Kraushofer, Jiri Pavelec, Matthias Meier, Florian Libisch, Michael Schmid, Ulrike Diebold, Cesare Franchini, Gareth S. Parkinson   +12 more
wiley   +1 more source

Computational modeling for rational design of novel phenoxy tacrine derivatives targeting Alzheimer's disease. [PDF]

PLoS One
El Fadili M, Er-Rajy M, Mujwar S, Samadi A, Chtita S, Elhallaoui M.   +5 more
europepmc   +1 more source