Results 241 to 250 of about 50,524 (308)

Scalable modeling of multi-spin ensembles in SABRE hyperpolarization: a symmetry-based framework for zero and ultralow fields. [PDF]

Magn Reson (Gott)
Markelov D, Snadin A, Kiryutin A, Barskiy D, Yurkovskaya A.   +4 more
europepmc   +1 more source

A High Energy Barrier DyIII2 Single‐Molecule Magnet Supported by a Bulky, Anionic N–O Bridging Ligand

Chemistry – A European Journal, EarlyView.
Complex [Dy2(hynad)2(dbm)4] was prepared by the employment of the anionic N–O‐based bridging and chelating N‐hydroxy‐1,8‐naphthalimide ligand, featuring a {Dy2(µ‐OR)2}4+ core and exhibiting zero‐field SMM behavior with a Ueff value of 171 K and double‐S‐shaped hysteresis loops, open up to 3.5 K.
Alexandros S. Armenis, Concepción Molina‐Jirón, Konstantinos N. Pantelis, Wolfgang Wernsdorfer, Mario Ruben, Eufemio Moreno‐Pineda, Theocharis C. Stamatatos   +6 more
wiley   +1 more source

Anomalous Behavior Induced by a Single Impurity in Non-Hermitian Topological Systems with Nonreciprocal Coupling. [PDF]

Entropy (Basel)
Wang J, Wang Z, Ma X, Yi X.
europepmc   +1 more source

Stochastic Gradient Descent in High Dimensions for Multi‐Spiked Tensor PCA

Communications on Pure and Applied Mathematics, EarlyView.
ABSTRACT We study the high‐dimensional dynamics of online stochastic gradient descent (SGD) for the multi‐spiked tensor model. This multi‐index model arises from the tensor principal component analysis (PCA) problem with multiple spikes, where the goal is to estimate the unknown signal vectors within the N$N$‐dimensional unit sphere through maximum ...
Gérard Ben Arous, Cédric Gerbelot, Vanessa Piccolo   +2 more
wiley   +1 more source

Molecular Resonance Identification in Complex Absorbing Potentials via Integrated Quantum Computing and High-Throughput Computing. [PDF]

J Chem Theory Comput
Dai J, Vidwans A, Wan EH, Miller AX, Soley MB.   +4 more
europepmc   +1 more source

The Electronic Spin State of Diradicals Obtained from the Nuclear Perspective: The Strange Case of Chichibabin Radicals

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
The electronic spin state of two Chichibabin radicals is investigated using 2‐dimensional hyperfine correlated Electron Nuclear Double Resonance. The protons (I=1/2) act as a reference for the electronic spin quantum number (S) via their hyperfine interactions.
Gabriel Moise, Saleta Fernández, Kit Joll, Mikhail V. Vaganov, Fátima García, Christiane R. Timmel, Diego Peña, Arzhang Ardavan   +7 more
wiley   +1 more source

Oscillator-qubit generalized quantum signal processing: a case study of the uracil cation vibronic model. [PDF]

Chem Sci
Hong J, Kim SH, Min SK, Huh J.
europepmc   +1 more source

Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
Linear infrared spectroscopy combined with isotope labeling and density functional theory unravels the origin of a Fermi triad in a multifunctional vibrational chromophore. Ultrafast 2DIR‐spectroscopy reports directly on the dynamics and the intramolecular vibrational energy flow pathways in the isotopically deperturbed system. Abstract Infrared probes
Claudia Gräve, Jörg Lindner, Stefan Flesch, Luis I. Domenianni, Peter Vöhringer   +4 more
wiley   +1 more source

Equivariant electronic Hamiltonian prediction with many-body message passing. [PDF]

NPJ Comput Mater
Qian C, Vitartas V, Kermode JR, Maurer RJ.   +3 more
europepmc   +1 more source

Quenching the Hubbard Model: Comparison of Nonequilibrium Green's Function Methods

Contributions to Plasma Physics, EarlyView.
ABSTRACT We benchmark nonequilibrium Green's function (NEGF) approaches for interaction quenches in the half‐filled Fermi–Hubbard model in one and two dimensions. We compare fully self‐consistent two‐time Kadanoff–Baym equations (KBE), the generalized Kadanoff–Baym ansatz (GKBA), and the recently developed NEGF‐based quantum fluctuations approach (NEGF‐
Jan‐Philip Joost, Christopher Makait, Alexander Osterkorn, Erik Schroedter   +3 more
wiley   +1 more source