Results 21 to 30 of about 5,248,562 (283)
Message Passing-Based Inference for Time-Varying Autoregressive Models
Entropy, 2021 Time-varying autoregressive (TVAR) models are widely used for modeling of non-stationary signals. Unfortunately, online joint adaptation of both states and parameters in these models remains a challenge.
Albert Podusenko +2 more
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Entropy, 2022 The Jarzynski equality (JE) was originally derived under the deterministic Hamiltonian formalism, and later, it was demonstrated that stochastic Langevin dynamics also lead to the JE.
Javier Varillas, Lamberto Rondoni
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Metastable States of Water Aerosols: Comparison by Experiment
Atmosphere, 2021 Free energy of water aerosol plasma was calculated using the Debye–Hückel method. It was established that free energies of droplets, ions and simultaneously of all charged particles had local minima (metastable states) at certain concentrations and ...
Anatoly V. Shavlov +2 more
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Entropy, 2021 Our intention is to provide easy methods for estimating entropy and chemical potentials for gas phase reactions. Clausius’ virial theorem set a basis for relating kinetic energy in a body of independent material particles to its potential energy ...
Ivan R. Kennedy, Migdat Hodzic
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Dual-Topology Hamiltonian-Replica-Exchange Overlap Histogramming Method to Calculate Relative Free Energy Difference in Rough Energy Landscape [PDF]
, 2006 A novel overlap histogramming method based on Dual-Topology Hamiltonian-Replica-Exchange simulation technique is presented to efficiently calculate relative free energy difference in rough energy landscape, in which multiple conformers coexist and are ...
Bitter-Putzer, Ryan +4 more
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Entropy, 2021 About a century ago, in the spirit of ancient atomism, the quantum of light was renamed the photon to suggest that it is the fundamental element of everything. Since the photon carries energy in its period of time, a flux of photons inexorably embodies a
Arto Annila
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Free-energy calculations [PDF]
, 2002 The techniques that can be used to study phase diagrams numerically depend on the character of the phase transitions. In particular, there is quite a difference among the tools used to study first-order phase transitions and those applied to analyze critical phenomena near continuous phase transitions.
Daan Frenkel, Berend Smit
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Entropy, 2022 The underlying mechanism determining the size of a particular cell is one of the fundamental unknowns in cell biology. Here, using a new approach that could be used for most of unicellular species, we show that the protein synthesis and cell size are ...
Mohammad Razavi +2 more
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Structural Dynamics, 2019 Theoretical and experimental methodologies that can characterize electronic and nuclear dynamics, and the coupling between the two, are needed to understand photoinduced charge transfer in molecular building blocks used in organic photovoltaics.
Khadijeh Khalili +5 more
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Entropy Pair Functional Theory: Direct Entropy Evaluation Spanning Phase Transitions
Entropy, 2021 We prove that, within the class of pair potential Hamiltonians, the excess entropy is a universal, temperature-independent functional of the density and pair correlation function. This result extends Henderson’s theorem, which states that the free energy
Donald M. Nicholson +4 more
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