相关论文: Scaling behavior of optimally structured catalytic…
Processes involving the manufacture of fine/bulk chemicals, pharmaceuticals, biofuels, and waste treatment require plug flow characteristics to minimise their energy consumption and costs, and maximise product quality. One such versatile…
We investigate the increase in efficiency of simulated and parallel tempering MCMC algorithms when using non-reversible updates to give them "momentum". By making a connection to a certain simple discrete Markov chain, we show that, under…
Evolution of a system of diffusing and proliferating mortal reactants is analyzed in the presence of randomly moving catalysts. While the continuum description of the problem predicts reactant extinction as the average growth rate becomes…
We propose a new reservoir computing method for forecasting high-resolution spatiotemporal datasets. By combining multi-resolution inputs from coarser to finer layers, our architecture better captures both local and global dynamics. Applied…
Recent studies have shown that multi-step optimization based on Model Predictive Control (MPC) can effectively coordinate the increasing number of distributed renewable energy and storage resources in the power system. However, the…
In-materia reservoir computing (RC) leverages the intrinsic physical responses of functional materials to perform complex computational tasks. Magnetic metamaterials are exciting candidates for RC due to their huge state space, nonlinear…
To increase the energy of Particle Accelarators to reach the requirements of the Linear Collider or of the Super KEK-B factory, new accelerating structures with a higher accelerating gradient need to be developped. These accelerating…
We present a novel scattering emulator utilizing the complex scaling method to enhance nuclear reaction analysis. This approach leverages a single set of reduced bases, allowing for efficient and simultaneous emulation across multiple…
Taking inspiration from the crawling motion of biological cells on a substrate, we consider a physical model of self-propulsion where the spatio-temporal driving can involve both, a mechanical actuation by active force couples, and a…
The nucleation and growth of calcite is an important research in scientific and industrial field. Both the macroscopic and microscopic observation of calcite growth have been reported. Now, with the development of microfluidic device, we…
We present a family of algorithms for the fast determination of reaction paths and barriers in phase space and the computation of the corresponding rates. The method requires the reaction times be large compared to the microscopic time,…
High precision atomic data is indispensable for experiments involving studies of fundamental interactions, astrophysics, atomic clocks, plasma science, and others. We develop new parallel atomic structure codes and explore the difficulties…
We discuss the problem of the optimal design of a micro-tubular fuel cell applying an inverse homogenization technique. Fuel cells are extremely clean and efficient electrochemical power generation devices, made up of a…
We derive upper and lower bounds for the efficiency of an isothermal molecular machine operating at maximum power. The upper bound is reached when the activated state is close to the fueling or reactant state (Eyring-like), while the lower…
We analyze the properties of a class of improved lattice topological charge density operators, constructed by a smearing-like procedure. By optimizing the choice of the parameters introduced in their definition, we find operators having (i)…
A stochastic model for a chemical reaction network is embedded in a one-parameter family of models with species numbers and rate constants scaled by powers of the parameter. A systematic approach is developed for determining appropriate…
We examine the effect of small, spatially localized, excitations applied periodically in different manners, on the crackling dynamics of a brittle crack driven slowly in a heterogeneous solid. When properly adjusted, these excitations are…
An overview of the Conquest linear scaling density functional theory (DFT) code is given, focussing particularly on the scaling behaviour on modern high- performance computing (HPC) platforms. We demonstrate that essentially perfect linear…
Atomic nuclei are composite systems, and they may be dynamically excited during nuclear reactions. Such excitations are not only relevant to inelastic scattering but they also affect other reaction processes such as elastic scattering and…
A technique of hyperbolic scaling is applied to calculate a reaction front velocity in an irreversible autocatalytic conversion reaction $A+B\,\rightarrow\, 2A$ under subdiffusion. The method, based on the geometric optics approach is a…