We present a formalism for coupling a density-functional-theory-based quantum simulation to a classical simulation for the treatment of simple metallic systems. The formalism is applicable to multiscale simulations in...
We present a formalism for coupling a density-functional-theory-based quantum simulation to a classical simulation for the treatment of simple metallic systems. The formalism is applicable to multiscale simulations in which the part of the system requiring quantum-mechanical treatment is spatially confined to a small region. Such situations often arise in physical systems where chemical interactions in a small region can affect the macroscopic mechanical properties of a metal. We describe how this coupled treatment can be accomplished efficiently, and we present a coupled simulation for a bulk aluminum system.
Galaxies form and evolve via a multitude of complex physics. In this work, we investigate the role of cosmic ray (CR) feedback in galaxy evolution and reionisation, by examining its impact on the escape of ionising ra...
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Solving complex optimal control problems have confronted computational challenges for a long time. Recent advances in machine learning have provided us with new opportunities to address these challenges. This paper ta...
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Solving complex optimal control problems have confronted computational challenges for a long time. Recent advances in machine learning have provided us with new opportunities to address these challenges. This paper takes model predictive control, a popular optimal control method, as the primary example to survey recent progress that leverages machine learning techniques to empower optimal control solvers. We also discuss some of the main challenges encountered when applying machine learning to develop more robust optimal control algorithms.
We investigate the predictability of several range-based stock volatility estimators, and compare them to the standard close-to-close estimator which is most commonly acknowledged as the volatility. The patterns of vo...
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Volatility is a natural risk measure in finance as it quantifies the variation of stock prices. A frequently considered problem in mathematical finance is to forecast different estimates of volatility. What makes it p...
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Many rare weather events, including hurricanes, droughts, and floods, dramatically impact human life. To accurately forecast these events and characterize their climatology requires specialized mathematical techniques...
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Rare events arising in nonlinear atmospheric dynamics remain hard to predict and attribute. We address the problem of forecasting rare events in a prototypical example, Sudden Stratospheric Warmings (SSWs). Approximat...
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We show that the thermodynamic limit of a bistable phosphorylation-dephosphorylation cycle has a selection rule for the “more stable” macroscopic steady state. The analysis is akin to the Maxwell construction. Based...
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We show that the thermodynamic limit of a bistable phosphorylation-dephosphorylation cycle has a selection rule for the “more stable” macroscopic steady state. The analysis is akin to the Maxwell construction. Based on the chemical master equation approach, it is shown that, except at a critical point, bistability disappears in the stochastic model when fluctuation is sufficiently low but unneglectable. Onsager’s Gaussian fluctuation theory applies to the unique macroscopic steady state. With an initial state in the basin of attraction of the “less stable” steady state, the deterministic dynamics obtained by the law of mass action is a metastable phenomenon. Stability and robustness in cell biology are emergent stochastic concepts.
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