Results 161 to 170 of about 5,534 (214)

Competing Charge Separation Pathways Govern Charge Generation in Organic Photovoltaic Blends: Insights From Transient Electron Spin Resonance

Advanced Energy Materials, EarlyView.
Transient electron spin resonance distinguishes interfacial charge‐transfer states from separated charges, revealing competing charge separation pathways in organic photovoltaic blends. The relative contributions of fast charge separation and a pathway mediated by spin‐polarized charge‐transfer states vary across different blends, with high‐efficiency ...
Jack M. S. Palmer, Claudia E. Tait
wiley   +1 more source

A Comprehensive Assessment and Benchmark Study of Large Atomistic Foundation Models for Phonons

Advanced Intelligent Discovery, EarlyView.
We benchmark six large atomistic foundation models on 2429 crystalline materials for phonon transport properties. The rapid development of universal machine learning potentials (uMLPs) has enabled efficient, accurate predictions of diverse material properties across broad chemical spaces.
Md Zaibul Anam, Ogheneyoma Aghoghovbia, Mohammed Al‐Fahdi, Lingyu Kong, Victor Fung, Ming Hu   +5 more
wiley   +1 more source

Interpretability and Representability of Commutative Algebra, Algebraic Topology, and Topological Spectral Theory for Real‐World Data

Advanced Intelligent Discovery, EarlyView.
This article investigates how persistent homology, persistent Laplacians, and persistent commutative algebra reveal complementary geometric, topological, and algebraic invariants or signatures of real‐world data. By analyzing shapes, synthetic complexes, fullerenes, and biomolecules, the article shows how these mathematical frameworks enhance ...
Yiming Ren, Guo‐Wei Wei
wiley   +1 more source

Harnessing Machine Learning to Understand and Design Disordered Solids

Advanced Intelligent Discovery, EarlyView.
This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley   +1 more source

When Biology Meets Medicine: A Perspective on Foundation Models

Advanced Intelligent Discovery, EarlyView.
Artificial intelligence, and foundation models in particular, are transforming life sciences and medicine. This perspective reviews biological and medical foundation models across scales, highlighting key challenges in data availability, model evaluation, and architectural design.
Kunying Niu, Yuxing Wang, Limin Zou, Jing Huang   +3 more
wiley   +1 more source

AI‐Driven Cancer Multi‐Omics: A Review From the Data Pipeline Perspective

Advanced Intelligent Discovery, EarlyView.
The exponential growth of cancer multi‐omics data brings opportunities and challenges for precision oncology. This review systematically examines AI's role in addressing these challenges, covering generative models, integration architectures, Explainable AI for clinical trust, clinical applications, and key directions for clinical translation.
Shilong Liu, Shunxiang Li, Kun Qian
wiley   +1 more source

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Triplet–Triplet Annihilation via the Triplet Channel in Crystalline 9,10-Diphenylanthracene

The Journal of Physical Chemistry Letters, 2022
Delayed fluorescence resulting from triplet-triplet annihilation in crystalline 9,10-diphenylanthracene was observed by means of steady-state fluorescence measurements under magnetic fields of ≤10 T. At five specific magnetic fields, four peaks and one dip in the magnetic field dependence of fluorescence intensity were observed, proving that exchange ...
Tomoaki Yago, Manami Tashiro, Kiichi Hasegawa, Masao Gohdo, Syuta Tsuchiya, Tadaaki Ikoma, Masanobu Wakasa   +6 more
openaire   +2 more sources

Organic Triplet Photosensitizers for Triplet-Triplet Annihilation Upconversion

2021
Triplet-triplet annihilation (TTA) upconversion, a photophysical phenomenon of conversion of low-energy photon into high-energy photon, is a promising approach due to its low excitation power requirement and high upconversion quantum yields. Most of the triplet photosensitizers (PSs) used for TTA upconversion are based on transition metal complexes and
Zafar Mahmood, Shaomin Ji, Jianzhang Zhao, Mushraf Hussain, Farhan Sadiq, Noreen Rehmat, Muhammad Imran   +6 more
openaire   +1 more source

Solvent Viscosity Effect on Triplet–Triplet Pair in Triplet Fusion

The Journal of Physical Chemistry B, 2015
The effect of the solvent viscosity dependence of time-resolved magnetoluminescence (ML) on the delayed fluorescence of 9,10-diphenylanthracene (DPA) sensitized by platinum octaethylporphyrin has clarified the structure and dynamics of the triplet-triplet pair (TT), i.e., the transition state of triplet fusion.
Kana, Yokoyama, Yusuke, Wakikawa, Tomoaki, Miura, Jun-ichi, Fujimori, Fuyuki, Ito, Tadaaki, Ikoma   +5 more
openaire   +2 more sources

Semiempirical calculations of singlet-triplet and triplet-triplet transitions

Theoretica Chimica Acta, 1969
Semiempirical calculations of the PPP-type with optimum values of parameters (γ μμ=8.2 eV, β c=−2.5 eV) reproduce fairly well the singlet-triplet (S-T) and triplet-triplet (T-T) excitation energies and oscillator strengths with conjugated hydrocarbons of various structural types. The usefulness of this parametrization is shown with anthracene. Moreover,
J. Pancíř, R. Zahradník
openaire   +1 more source