Results 231 to 240 of about 189,782 (285)

Transverse Square Toroidal Vortices with Giant Ferrotoroidic Coupling in Dy‐Bridged Single‐Molecule Toroics

European Journal of Inorganic Chemistry, Volume 29, Issue 9, 20 March 2026.
Single‐molecular toroics (SMTs) offer protected magnetic states for next‐generation quantum technologies. Ab initio and model analyses of Cu2Dy7 and Cu4Dy12 reveal unconventional excited states featuring delocalised toroidal moments that couple into strong ferro‐ and antiferrotoroidic configurations, providing unprecedented magnetic coupling within ...
Matteo Licitra, Imon J. Dutta, Kieran Hymas, Stuart R. Batten, Keith S. Murray, Gopalan Rajaraman, Stuart K. Langley, Kuduva R. Vignesh, Alessandro Soncini   +8 more
wiley   +1 more source

Projected entangled pair states for lattice gauge theories with dynamical fermions. [PDF]

Commun Phys
Kelman A, Borla U, Emonts P, Zohar E.
europepmc   +1 more source

Ionization cross sections for collisions between fully stripped ions and ground state hydrogen atoms using the quasi-classical trajectory Monte Carlo method. [PDF]

Sci Rep
Ziaeian I, Tőkési K.
europepmc   +1 more source

On the Bona Fide Sampling of Reaction Candidates in Red Moon Method by Replica‐Exchange Molecular Dynamics Method: REMD‐RM Method and Its Efficacy in Polymerization and Cross‐Linking Reactions of Polypropylene

Journal of Computational Chemistry, Volume 47, Issue 7, March 15, 2026.
Schematic representation of the REMD‐RM method, which integrates the Red Moon (RM) method and the replica‐exchange molecular dynamics (REMD) method. By enhancing molecular reconfiguration and diffusion in the reactant system, the REMD‐RM method can efficiently explore a wide phase space and effectively accelerate the search for reaction candidates ...
Kentaro Matsumoto, Yuichi Tanaka, Seiryu Umetani, Takashi Nakano, Masataka Nagaoka   +4 more
wiley   +1 more source

Inhibition of Particle Growth During Single‐Pulse Laser Fragmentation by Barrierless Adsorption of the Just‐Formed Gold Nanoparticles on Graphene Oxide

ChemPhysChem, Volume 27, Issue 5, 13 March 2026.
Supporting the initial gold nanoparticles onto graphene oxide sheets before laser fragmentation with low spatial density leads to a significant reduction in the final particle size, especially at low mass loads of gold (higher interparticular distance).
Meike Tack, Anton Plech, Yogesh Pokhrel, Maron Dolling, Martin Ahrens, Gereon Hüttmann, Sven Reichenberger   +6 more
wiley   +1 more source

Variational approach to open quantum systems with long-range competing interactions. [PDF]

Commun Phys
Hryniuk DA, Szymańska MH.
europepmc   +1 more source

Unphysical Structure Collapse in Quantum Mechanics Calculations With Continuum Solvation

ChemPhysChem, Volume 27, Issue 5, 13 March 2026.
Quantum mechanics conformer searches with continuum solvation models yield preferably collapsed conformations not confirmed by sophisticated nuclear magnetic resonance (NMR) experiments. Continuum solvation force‐field and explicit solvation molecular dynamics simulations result preferably in stretched conformations, hinting on general weaknesses of ...
Andreas H. Göller, Dieudonné T. Tshitenge   +1 more
wiley   +1 more source

Modal Backflow Neural Quantum States for Anharmonic Vibrational Calculations. [PDF]

J Chem Theory Comput
Ding L, Reiher M.
europepmc   +1 more source

Experimental Exchange Interaction Dataset for Magnetic Materials: Spin Waves to MC Simulations. [PDF]

Sci Data
Alaei M, Mosleh Z, Rezaei N, Oganov AR.
europepmc   +1 more source

Plasmon Enhancement Reveals Origin of the Dark States of Photoluminescence Intermittency in Quantum Dots. [PDF]

Nanophotonics
Li J, Chen Z, Zhang G, Li B, Yang C, Guo W, Han X, Wang C, Ying Z, Wang J, Chen R, Qin C, Hu J, Xiao L, Jia S.   +14 more
europepmc   +1 more source