Results 41 to 50 of about 9,550,679 (229)

Multiscale Modelling of the Electrocatalysis of Microenzymes: Insights Into the Performance of Microperoxidase at an Aqueous/Graphene Interface and Their Exploitation to Improve Performance

Advanced Science, EarlyView.
A novel multiscale MD/DFT framework to elucidate microenzyme adsorption and electron transfer is reported. This method reveals distinct configurations for microperoxidase‐11 on graphene and those best suited for electron transfer. Rate constants align with the limited experimental data, establishing this framework as a tool for optimizing microenzyme ...
Milan Mijajlovic, Cheng Hu, Yuhui Sun, Matthew J. Penna, Meisam V. Kiamahalleh, Wenrong Yang, Mark J. Biggs   +6 more
wiley   +1 more source

Lyapunov inequalities for discrete linear Hamiltonian systems [PDF]

, 2003
In this paper, we present some Lyapunov type inequalities for discrete linear scalar Hamiltonian systems when the coefficient c(t) is not necessarily nonnegative valued and when the end-points are not necessarily usual zeros, but rather, generalized ...
Guseinov, GS, Kaymakçalan, B, Hüseyin, Hüseyin Şirin   +2 more
core   +2 more sources

NbOx Mott Memristor‐Based Oscillatory P‐trit for Ternary Potts Machine

Advanced Science, EarlyView.
A ternary Potts machine utilizing NbOx‐based probabilistic trits (p‐trits) is demonstrated for efficient combinatorial optimization. By leveraging the electro‐thermal switching dynamics of NbOx memristors, this architecture generates three‐state stochastic fluctuations.
Hakseung Rhee, Seoeun Jang, Tae Wook Go, Woojoon Park, Gwangmin Kim, Do Hoon Kim, Hanchan Song, Younghyun Lee, Junmo Kang, Daehee Kim, Kyung Min Kim   +10 more
wiley   +1 more source

J-Self-Adjoint Extensions for a Class of Discrete Linear Hamiltonian Systems

Abstract and Applied Analysis, 2013
This paper is concerned with formally J-self-adjoint discrete linear Hamiltonian systems on finite or infinite intervals. The minimal and maximal subspaces are characterized, and the defect indices of the minimal subspaces are discussed.
Guojing Ren, Huaqing Sun
doaj   +1 more source

Designer Moiré Quantum Materials Enabled by Freestanding Oxide Membranes in Twisted and Hybrid Bilayers

Advanced Science, EarlyView.
Freestanding oxide membranes transform twistronics by enabling deterministic stacking, strain release, and integration with two‐dimensional materials. A unified framework links local atomic registry to structural reconstruction, polar textures, charge modulation, flat bands, and magnetic responses, while identifying the fabrication and characterization
Puneet Kaur, Rahul, Jan‐Chi Yang
wiley   +1 more source

Record Dissymmetry in Vibrational Optical Activity: Combining Vibronic Coupling and Aggregation in Cobalt(II) Camphorate Complexes

Angewandte Chemie, EarlyView.
The cobalt(II) bis(trifluoroacetylcamphorate) scaffold exhibits versatile coordination chemistry with solvent‐driven ligand exchange and geometrical rearrangements, associated with unique chiroptical properties. Microcrystalline suspension of [Co(tfc)2(CH3CN)2] revealed the largest VCD dissymmetry factor ever reported (g ≈ 0.2 at 1600 cm−1), arising ...
Gianmarco Papi, Massimo Guelfi, Stefano Zacchini, Fabio Marchetti, Gennaro Pescitelli   +4 more
wiley   +2 more sources

Hamilton-Pontryagin Integrators on Lie Groups [PDF]

, 2007
In this thesis structure-preserving time integrators for mechanical systems whose configuration space is a Lie group are derived from a Hamilton-Pontryagin (HP) variational principle.
Bou-Rabee, Nawaf Mohammed
core   +1 more source

Prediction of Structural Stability of Layered Oxide Cathode Materials: Combination of Machine Learning and Ab Initio Thermodynamics

Advanced Energy Materials, EarlyView.
In this work, we developed a phase‐stability predictor by combining machine learning and ab initio thermodynamics approaches, and identified the key factors determining the favorable phase for a given composition. Specifically, a lower TM ionic potential, higher Na content, and higher mixing entropy favor the O3 phase.
Liang‐Ting Wu, Milica Zdravković, Dijana Milosavljević, Konstantin Köster, Olivier Guillon, Jyh‐Chiang Jiang, Payam Kaghazchi   +6 more
wiley   +1 more source

Provenance of classical Hamiltonian time crystals

Journal of High Energy Physics, 2020
Classical Hamiltonian systems with conserved charges and those with constraints often describe dynamics on a pre-symplectic manifold. Here we show that a pre-symplectic manifold is also the proper stage to describe autonomous energy conserving ...
Anton Alekseev, Jin Dai, Antti J. Niemi
doaj   +1 more source

On Critical Behaviour in Systems of Hamiltonian Partial Differential Equations [PDF]

, 2015
We study the critical behaviour of solutions to weakly dispersive Hamiltonian systems considered as perturbations of elliptic and hyperbolic systems of hydrodynamic type with two components.
Klein, Christian, Moro, A., Antonio Moro, Klein, C, Moro, Anotnio, Grava, T., Dubrovin, Boris, Boris Dubrovin, Dubrovin, B., Moro, Antonio, Tamara Grava, Klein, C., Grava, Tamara, Christian Klein   +13 more
core   +1 more source