Results 201 to 210 of about 7,932,784 (254)

Guidelines for Comparing Circular Dichroism Spectroscopy and Molecular Dynamics Simulations for Biomolecules. [PDF]

Chemphyschem
Campus C, Roldo M, Chen CH, Hadianamrei R, Gavini E, Jorgensen C.   +5 more
europepmc   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

Correlated Charge Transport in an Organic Coulomb Glass

Advanced Materials, EarlyView.
ABSTRACT Advances in the development of organic field‐effect transistors (OFETs), electrically gated organic semiconductors (EGOFETs), and organic electrochemical transistors (OECTs) allow for the operation of these devices at very high charge‐carrier densities, where Coulomb interactions between carriers can be expected to become significant.
Magdalena Sophie Dörfler, Heinz Bässler, Harald Oberhofer, Anna Köhler   +3 more
wiley   +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

From GROMACS Molecular Dynamics Simulations to Electronic Absorption Spectra: A Tutorial for Small Molecules in Organic Solvents. [PDF]

J Chem Educ
Picarelli C, Raffaini G, Tommasini M.
europepmc   +1 more source

Hydrogel‐Based Airway‐on‐Tube With Perfusable Endothelial Lumen and Outward Epithelialization

Advanced Materials, EarlyView.
A hydrogel‐based airway‐on‐tube platform featuring a perfusable endothelial lumen and outward epithelialization is presented. The system supports primary human bronchial epithelial and lung microvascular endothelial coculture under air‐liquid interface conditions.
Ali Doryab, Jack F. Murphy, Michael Bartolf‐Kopp, Jenny C‐C Hsin, Alice Chernaik, Frank McCaughan, Yan Yan Shery Huang, Tomasz Jungst, Jürgen Groll   +8 more
wiley   +1 more source

Lessons Learned on Obtaining Reliable Conductivity Estimates From Molecular Dynamics Simulations. [PDF]

Chemphyschem
Zaby P, Ingenmey J, Lourenço TC, Zhang Y, Da Silva JLF, Brehm M, Maginn EJ, Kirchner B.   +7 more
europepmc   +1 more source

When Poor Exciton Dissociation Limits Photocurrents in Organic Solar Cells: Why Low Offset Non‐Fullerene Acceptor Blends Can't Be Efficient

Advanced Materials, EarlyView.
The energetic offset between the donor and the acceptor components in organic photoactive layers is central to the tradeoff between photovoltage and photocurrent losses. This Perspective covers the most important issues surrounding this topic in non‐fullerene acceptor blends, from the difficulty of accurately determining state energies and driving ...
Dieter Neher, Manasi Pranav
wiley   +1 more source

Deciphering the Structural Dynamics of Chicken Albumin through Molecular Dynamics Simulations and Deep Learning. [PDF]

ACS Omega
Traiphothon D, Kaewbundit V, Niramitranon J, Wongchaisuwat P, Pongprayoon P.   +4 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