Results 151 to 160 of about 3,855 (243)

Turning Unpredictable Biomolecule Adsorption to Controlled Corona Formation: Focus on Carbon Nanomaterials

Advanced Materials, EarlyView.
Controlling the protein corona formation onto carbon nanomaterials (CNMs) enhances their functionalities as platforms for cancer theranostics. Here, we reviewed the effects of the intrinsic and acquired properties of CNMs on protein corona formation, the consequent biological and toxicological outcomes, and the strategies to reshape corona formation ...
Yajuan Zou, Yalei Hu, Jie Yu, Naoki Komatsu, Yuta Nishina, Alberto Bianco   +5 more
wiley   +1 more source

Assessing Second-Order Perturbative Corrections to Restricted Active Space CI for Valence Excitations in Organic Molecules. [PDF]

J Phys Chem A
Perumal Marisami JB, Casanova D.
europepmc   +1 more source

Neuromorphic Electronics for Intelligence Everywhere: Emerging Devices, Flexible Platforms, and Scalable System Architectures

Advanced Materials, EarlyView.
The perspective presents an integrated view of neuromorphic technologies, from device physics to real‐time applicability, while highlighting the necessity of full‐stack co‐optimization. By outlining practical hardware‐level strategies to exploit device behavior and mitigate non‐idealities, it shows pathways for building efficient, scalable, and ...
Kapil Bhardwaj, Roshni Satheesh Babu, Yuxin Xia, Eva Bestelink, Radu Sporea, Nikos Hastas, Ioannis Zeimpekis, Dimitra G. Georgiadou, Sayani Majumdar   +8 more
wiley   +1 more source

Anharmonicity in Molecular Crystals: Generalized Perturbation Theory Meets Periodic Computations. [PDF]

J Phys Chem Lett
Mitoli D, Erba A, Barone V, Mendolicchio M.   +3 more
europepmc   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Link between Spin-Orbit Relativity and Magnetically Induced Current Densities in Heavy-Atom Hydrides: <i>trans</i>-Ligand Influence. [PDF]

JACS Au
Blasco D, Novotný J, Asher JR, Berger RJF, Komorovsky S, Marek R.   +5 more
europepmc   +1 more source

Why Is the Mechanism Underlying the Chiral‐Induced Selectivity Effect Still Challenging?

Advanced Materials, EarlyView.
The chiral‐induced spin selectivity (CISS) effect is observed in many experimental configurations and for different materials. However, there are theoretical challenges in attempting to explain those results. A qualitative framework for explaining all the results is presented.
Ron Naaman, Yossi Paltiel
wiley   +1 more source

Pseudogap in electron-doped cuprates as a thermal precursor to magnetism. [PDF]

Nat Commun
Kokkinis EK, Chubukov AV.
europepmc   +1 more source

Emergent Spin Supersolids in Frustrated Quantum Materials

Advanced Materials, EarlyView.
This review highlights developments in the study of spin super‐solids in frustrated quantum materials. Advanced experimental characterizations and computational studies enable a comprehensive understanding of the driving mechanisms of spin super‐solidity in various layered transition‐metal compounds, bridging materials, experiments, and theory aspects.
Yixuan Huang, Seiji Yunoki, Sadamichi Maekawa   +2 more
wiley   +1 more source

Benchmarking Nanoscale Noncovalent Complexes at the Two-Hundred-Atom Scale with Converged Local CCSD(T). [PDF]

J Phys Chem A
Lao KU.
europepmc   +1 more source