相关论文: Identifying Reaction Pathways in Phase Space via A…

System of partial differential equations with a convolution terms and non-local nonlinearity describing oscillations of plate due to Berger approach and with accounting for thermal regime in terms of Coleman-Gurtin and Gurtin-Pipkin law and…

Chemical reaction network theory is a field of applied mathematics concerned with modeling chemical systems, and can be used in other contexts such as in systems biology to study cellular signaling pathways or epidemiology to study the…

A new supersymmetric model for electrons with generalized hopping terms and Hubbard interaction on a one-dimensional lattice is solved by means of the Bethe Ansatz. We investigate the phase diagram of this model by studying the ground state…

We present a molecular simulation method to simultaneously find multiple transition pathways, and their associated free-energy profiles. The scheme extends path-metadynamics (PMD) [Phys. Rev. Lett. 109, 020601 (2012)] with multiple paths…

We investigate the fast-reaction asymptotics for a one-dimensional reaction-diffusion (RD) system describing the penetration of the carbonation reaction in concrete. The technique of matched-asymptotics is used to show that the RD system…

Using a kinematic approach we show that the non-adiabatic, non-cyclic, geometric phase corresponding to the radiation emitted by a three level cascade system provides a sensitive diagnostic tool for determining the entanglement properties…

The mammalian spatial navigation system makes use of several different sensory information channels. This information is then converted into a neural code that represents the animal's current position in space by engaging place cell, grid…

We developed a novel contactless frequency-domain approach to study thermal transport, which is particularly convenient when thermally anisotropic materials are considered. The method is based on a similar line-shaped heater geometry as…

Stochastic modeling and simulation provide powerful predictive methods for the intrinsic understanding of fundamental mechanisms in complex biochemical networks. Typically, such mathematical models involve networks of coupled jump…

Entanglement related properties work as nice fingerprint of the quantum many-body wave function. However, those of fermionic models are hard to evaluate in standard numerical methods because they suffer from finite size effects. We show…

We propose the use of recurrent neural networks for classifying phases of matter based on the dynamics of experimentally accessible observables. We demonstrate this approach by training recurrent networks on the magnetization traces of two…

For parabolic PDEs, we present a new certainty equivalence-based adaptive boundary control scheme with a least-squares identifier of an event-triggering type, where the triggering is based on the size of the regulation error (as opposed to…

Stochastic models are often used to help understand the behavior of intracellular biochemical processes. The most common such models are continuous time Markov chains (CTMCs). Parametric sensitivities, which are derivatives of expectations…

Motivated by some numerical observations on molecular dynamics simulations, we analyze metastable trajectories in a very simplecsetting, namely paths generated by a one-dimensional overdamped Langevin equation for a double well potential.…

We discuss the ``soft-ratcheting'' algorithm which generates targeted stochastic trajectories in molecular systems with scores corresponding to their probabilities. The procedure, which requires no initial pathway guess, is capable of…

Adaptive time stepping methods for metastable dynamics of the Allen Cahn and Cahn Hilliard equations are investigated in the spatially continuous, semi-discrete setting. We analyse the performance of a number of first and second order…

We extend ring-polymer molecular dynamics (RPMD) to allow for the direct simulation of general, electronically non-adiabatic chemical processes. The kinetically constrained (KC) RPMD method uses the imaginary-time path-integral…

Rydberg-aided atomic electrometry using alkali-metal atoms is gaining increased research interest for detecting external electric fields. However, the inability of Rydberg probes to detect phase is a serious impediment to their realistic…

The interface of two solids in contact introduces a thermal boundary resistance (TBR), which is challenging to measure from experiments. Besides, if the interface is reactive, it can form an intermediate recrystallized or amorphous region,…

Physics-guided sampling with diffusion priors has recently shown strong performance in solving complex systems of partial differential equations (PDEs) from sparse observations. However, these methods are typically evaluated on benchmark…