Measurement-induced phase transitions in informational active matter. [PDF]
PNAS NexusVanSaders B, Fruchart M, Vitelli V.
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 +3 more
wiley +1 more source
Generalized gas film lubrication theory based on molecular gas dynamics.
Journal of Japan Society of Fluid Mechanics, 1988 openaire +1 more source
Why Computational Photochemistry Is Challenging and Will Probably Remain So: A Quantum Chemist's Perspective. [PDF]
Adv Sci (Weinh)Dreuw A.
europepmc +1 more source
Advanced Materials, EarlyView.The engineering of colloidal nanocrystals with complex compositions has emerged as a highly active area of research within nanomaterials science. This review covers key aspects of colloidal solid‐solution nanocrystal formation using pulsed laser irradiation.
Marina T. Candela +4 more
wiley +1 more source
Multiscale Machine Learning Prediction of Infrared Spectra of Solvated Molecules. [PDF]
J Chem Theory ComputMazzeo P, Cupellini L, Mennucci B.
europepmc +1 more source
Phase Engineering of Atomically Precise Nanoclusters (APNCs) of Gold and Beyond
Advanced Materials, EarlyView.Engineering the structural phase of materials is of paramount importance for both fundamental research and practical applications. In this Review, we summarize the recent progress in controlling the phases of atomically precise nanoclusters (APNCs) of gold, silver and copper, as well as bimetallic systems. The phase‐enabled material properties of APNCs
Yitong Wang +4 more
wiley +1 more source
Entropy in Exact 2D Navier-Stokes and 3D Burgers Gas Flows. [PDF]
Entropy (Basel)Broadbridge P.
europepmc +1 more source
Switchable Magnonic Crystals Based on Spin Crossover/CrSBr Heterostructures
Advanced Materials, EarlyView.Multiscale modeling is employed to investigate the functionality of a light‐controlled, tunable magnonic crystal based on spin‐crossover Fe‐pz molecules integrated with a monolayer of CrSBr. Ab initio simulations confirm that the molecules remain functional on the CrSBr surface, while a semiclassical elastic model demonstrates that light‐induced ...
Andrei Shumilin +4 more
wiley +1 more source
Beyond Single Structures: The Role of Structural Ensembles in Discrete-Continuum Modeling of Highly Charged Metal Ions. [PDF]
J Chem Theory ComputHanson B, Li P.
europepmc +1 more source