Related papers: Coarse-Graining Can Beat the Rotating Wave Approxi…
We study the non-Markovian dynamics of a damped oscillator coupled with a reservoir. We present exact formulas for the oscillator's evolution directly from the BCH formula by series expansion with neither Markovian nor rotating wave…
Markov chain methods are remarkably successful in computational physics, machine learning, and combinatorial optimization. The cost of such methods often reduces to the mixing time, i.e., the time required to reach the steady state of the…
Representing a target quantum state by a compact, efficient variational wave-function is an important approach to the quantum many-body problem. In this approach, the main challenges include the design of a suitable variational ansatz and…
One key factor that limits the predictive power of molecular dynamics simulations is the accuracy and transferability of the input force field. Force fields are challenged by heterogeneous environments, where electronic responses give rise…
Coarse-grained models are a core computational tool in theoretical chemistry and biophysics. A judicious choice of a coarse-grained model can yield physical insight by isolating the essential degrees of freedom that dictate the…
Recently, Nathan and Rudner derived a Gorini-Kossakowski-Sudarshan-Lindblad master equation from the Redfield equation. The claim is that the level of approximation is equal to that of the Redfield equation. Here we benchmark the…
The non-Markovian dynamics of a three-level quantum system coupled to a bosonic environment is a difficult problem due to the lack of an exact dynamic equation such as a master equation. We present for the first time an exact quantum…
We present a technique to coarse-grain quantum states in a finite-dimensional Hilbert space. Our method is distinguished from other approaches by not relying on structures such as a preferred factorization of Hilbert space or a preferred…
Recovering unbiased kinetic and thermodynamic observables from the enhanced sampling simulations is a central challenge in rare-event sampling. Classical Girsanov Reweighting (GR) offers a principled solution by yielding exact pathwise…
Coarse-graining (CG) of molecular simulations simplifies the particle representation by grouping selected atoms into pseudo-beads and drastically accelerates simulation. However, such CG procedure induces information losses, which makes…
We revisit the problem involving two constantly accelerating Unruh-DeWitt detectors using Open Effective Field Theory methods. We study the time evolution of the joint detector state using a Markovian approximation which differs from the…
We study the efficiency of grain alignment by radiative torques (RATs) for an ensemble of irregular grains. The grains are modeled as ensembles of oblate and prolate spheroids, deformed as Gaussian random ellipsoids, and their scattering…
We investigate the accuracy of rigorous coupled wave analysis (RCWA) for near-field computations within cylindrical GaAs nanowire solar cells and discover excellent accuracy with low computational cost at long incident wavelengths, but poor…
Within the f-deformed oscillator formalism, we derive a Markovian master equation for the description of the damped dynamics of nonlinear systems that interact with their environment. The applicability of this treatment to the particular…
We study the implementation of one-, two-, and three-qubit quantum gates for interacting qubits using optimal control. Different Markovian and non-Markovian environments are compared and efficient optimisation algorithms utilising analytic…
This work presents a systematic methodology for describing the transient dynamics of coarse-grained molecular systems inferred from all-atom simulated data. We suggest Langevin-type dynamics where the coarse-grained interaction potential…
Variational quantum algorithms (VQAs) are increasingly being applied in simulations of strongly-bound (covalently bonded) systems using full molecular orbital basis representations. The application of quantum computers to the weakly-bound…
We present a model problem for benchmarking codes that investigate magma migration in the Earth's interior. This system retains the essential features of more sophisticated models, yet has the advantage of possessing solitary wave…
We implemented a coarse-graining procedure to construct mesoscopic models of complex molecules. The final aim is to obtain better results on properties depending on slow modes of the molecules. Therefore the number of particles considered…
We expand on a recent determination of the first global energy spectrum of the ocean's surface geostrophic circulation (Storer et al., 2022) using a coarse-graining (CG) method. We compare spectra from CG to those from spherical harmonics…