Free Energies of Reaction for Aqueous Glycine Condensation Chemistry at Extreme Temperatures
This book is Open Access. A digital copy can be downloaded for free from Wiley Online Library.
Explores the behavior of carbon in minerals, melts, and fluids under extreme conditions
Carbon trapped in diamonds and carbonate-bearing rocks in subduction zones are examples of the continuing exchange of substantial carbon ...
Matthew Kroonblawd, Nir Goldman
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Quenching the Hubbard Model: Comparison of Nonequilibrium Green's Function Methods
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 +3 more
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Motivated by modeling an unmanned aerial vehicle at a constant altitude plane above ground level as Dubins vehicle with signed upper-bounded curvature as constrained input and the flight path as Dubins path, the class of flight paths we study is ...
Han-Jung Chou +2 more
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ABSTRACT The properties of plasmas in the low‐density limit are described by virial expansions. Analytical expressions are known for the lowest virial coefficients from Green's function approaches. Recently, accurate path‐integral Monte Carlo (PIMC) simulations were performed for the hydrogen plasma at low densities by Filinov and Bonitz (Phys. Rev.
Gerd Röpke +3 more
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The path integral representation kernel of evolution operator in Merton-Garman model
In the framework of path integral the evolution operator kernel for the Merton-Garman Hamiltonian is constructed. Based on this kernel option formula is obtained, which generalizes the well-known Black-Scholes result.
V.S. Yanishevsky, L.F. Blazhyevskyi
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ABSTRACT Ab initio path integral Monte Carlo (PIMC) simulations constitute the gold standard for the estimation of a broad range of equilibrium properties of a host of interacting quantum many‐body systems spanning a broad range of conditions from ultracold atoms to warm dense quantum plasmas.
Paul Hamann +2 more
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Ultrafast Transitions in X‐Ray Irradiated Solids
ABSTRACT In this review, we present current developments on modeling ultrafast transitions in solids triggered by intense, atto‐ to femtosecond pulses from X‐ray free electron lasers. This specific irradiation regime requires dedicated simulation tools based on theoretical and computational methods, involving the elements of classical and quantum ...
Sebastião Antunes +3 more
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Hamiltonian paths on Platonic graphs [PDF]
We develop a combinatorial method to show that the dodecahedron graph has, up to rotation and reflection, a unique Hamiltonian cycle. Platonic graphs with this property are called topologically uniquely Hamiltonian. The same method is used to demonstrate topologically distinct Hamiltonian cycles on the icosahedron graph and to show that a regular graph
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Photo‐Excitations in Halide Perovskites: Where Do Simulations and Experiments Meet?
Aiming to bridge the gap between simulations and measurements of light–matter couplings and photo‐excitations in new functional materials, this perspective highlights insights and bottlenecks of state‐of‐the‐art experimental and theoretical methods (2D electronic spectroscopy vs.
Muhammad Sufyan Ramzan +5 more
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This review summarizes recent progress in meta‐photonics with a focus on bound states in the continuum (BICs) as a powerful platform for light confinement and control. It covers fundamental concepts, design strategies across optical regimes, symmetry breaking for practical quasi‐BICs, tunable and AI‐assisted BIC devices, and emerging applications in ...
Hafiz Saad Khaliq, Hak‐Rin Kim
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