Results 121 to 130 of about 48,835 (257)

Hamiltonian Approach to QCD in Coulomb Gauge: A Survey of Recent Results

Advances in High Energy Physics, 2018
We report on recent results obtained within the Hamiltonian approach to QCD in Coulomb gauge. Furthermore this approach is compared to recent lattice data, which were obtained by an alternative gauge-fixing method and which show an improved agreement ...
H. Reinhardt, G. Burgio, D. Campagnari, E. Ebadati, J. Heffner, M. Quandt, P. Vastag, H. Vogt   +7 more
doaj   +1 more source

Limitations of Foundation Models in Energy Materials Simulations: A Case Study in Polyanion Sodium Cathode Materials

Advanced Intelligent Discovery, EarlyView.
Several simulation techniques are used to explore static and dynamic behavior in polyanion sodium cathode materials. The study reveals that universal machine learning interatomic potentials (MLIPs) struggle with system‐specific chemistry, emphasizing the need for tailored datasets.
Martin Hoffmann Petersen, Chiku Parida, Jonas Busk, Jin Hyun Chang, Arghya Bhowmik, Juan Maria Garcia Lastra   +5 more
wiley   +1 more source

Protecting gauge symmetries in the dynamics of SU(3) lattice gauge theories

Communications Physics
Quantum simulation of a lattice gauge theory demands imposing on-site constraints. Ideally, the dynamics remain confined within the physical Hilbert space, where all the states satisfy those constraints. For a non-Abelian gauge theory, implementing these
Emil Mathew, Indrakshi Raychowdhury
doaj   +1 more source

Symmetric Gapped Interfaces of SPT and SET States: Systematic Constructions

Physical Review X, 2018
Symmetry-protected topological (SPT) states have boundary ’t Hooft anomalies that obstruct the effective boundary theory realized in its own dimension with UV completion and with an on-site G-symmetry.
Juven Wang, Xiao-Gang Wen, Edward Witten
doaj   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

High Pressure Stabilizes the Elusive Hexacoordinated Carbon

ChemistryEurope, EarlyView.
The MCF6 species (M = Ca, Sr) is more stable than the bicomponent MF2…CF4 mixture in the solid‐state at high pressure (p > 400 GPa). The main building block is the [CF6]2− unit in which carbon is hexacoordinated. Unusually high coordination number for elements has been of great interest in chemistry.
Shovan Das, Adrish Das, Ayan Datta
wiley   +1 more source

Perturbative Stability and Error-Correction Thresholds of Quantum Codes

PRX Quantum
Topologically ordered phases are stable to local perturbations, and topological quantum error-correcting codes enjoy thresholds to local errors. We connect the two notions of stability by constructing classical statistical mechanics models for decoding ...
Yaodong Li, Nicholas O’Dea, Vedika Khemani   +2 more
doaj   +1 more source

Interfacial Ru–O–W Orbital Coupling Enables Lattice Oxygen Stabilization for Enhanced Acidic OER

Carbon Energy, EarlyView.
A RuO2/WO3 electrocatalyst with strong interfacial Ru–O–W bonds exhibits optimized Ru–O interactions, enhancing intrinsic activity and stability for acidic OER. The WO3 support modulates the electronic structure of RuO2 and promotes oxo‐intermediate deprotonation, delivering a low overpotential of 203 mV at 10 mA cm−2 and sustained operation beyond 200 
Tongzhou Wang, Shoujian Duan, Junyu Pan, Jihong Li, Li Shao, Lei Shi, Yuhan Sun, Jingming Ran, Huaiyu Shao, Yida Deng   +9 more
wiley   +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

Spin‐Crossover Modulated Luminescence in Materials and Molecular Complexes

Helvetica Chimica Acta, EarlyView.
The synergistic coupling of spin‐crossover and luminescent properties holds great promise for the development of multifunctional and stimuli‐responsive molecular materials. This contribution provides a comprehensive overview of the field, surveying the possible coupling mechanisms, the various synthetic strategies and their potential applicability, as ...
Charlotte Egger, Claude Piguet
wiley   +1 more source