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In this paper, a new parametrization of the relative motion between two satellites orbiting a central body is presented. The parametrization is based on the nodal elements: a set of angles describing the orbit geometry with respect to the…
A new approach is developed to integrate numerically the equations of motion for systems of interacting rigid polyatomic molecules. With the aid of a leapfrog framework, we directly involve principal angular velocities into the integration,…
This paper investigates the differentiable dynamic modeling of mobile manipulators to facilitate efficient motion planning and physical design of actuators, where the actuator design is parameterized by physically meaningful motor geometry…
Simulating the dynamics of ions near polarizable nanoparticles (NPs) using coarse-grained models is extremely challenging due to the need to solve the Poisson equation at every simulation timestep. Recently, a molecular dynamics (MD) method…
The analysis of live-cell single-molecule imaging experiments can reveal valuable information about the heterogeneity of transport processes and interactions between cell components. These characteristics are seen as motion changes in the…
We demonstrate a machine learning based approach which can learn the time-dependent electronic excitation dynamics of small molecules subjected to ion irradiation. Ensembles of recurrent neural networks are trained on data generated by…
Characterizing ion adsorption and diffusion in porous carbons is essential to understand the performance of such materials in a range of key technologies such as energy storage and capacitive deionisation. Nuclear Magnetic Resonance (NMR)…
We have presented some practical consequences on the molecular-dynamics simulations arising from the numerical algorithm published recently in paper Int. J. Mod. Phys. C 16, 413 (2005). The algorithm is not a finite-difference method and…
Molecular-scale computation is crucial for smart materials and nanoscale devices, yet creating single-molecule systems capable of complex computations remains challenging. We present a theoretical framework for a single-molecule computer…
When addressing spatial biological questions using mathematical models, symmetries within the system are often exploited to simplify the problem by reducing its physical dimension. In a reduced-dimension model molecular movement is…
This paper proposes an effective phase diffusion method to analyze chemical exchange in nuclear magnetic resonance (NMR). The chemical exchange involves spin jumps around different sites where the spin angular frequencies vary, which leads…
A comparative study of different block matching alternatives for motion estimation is presented. The study is focused on computational burden and objective measures on the accuracy of prediction. Together with existing algorithms several…
During recent years, dynamical decoupling (DD) has gained relevance as a tool for manipulating quantum systems and extracting information from them. This is particularly relevant for spins involved in nuclear magnetic resonance (NMR), where…
Due to the visual ambiguity, purely kinematic formulations on monocular human motion capture are often physically incorrect, biomechanically implausible, and can not reconstruct accurate interactions. In this work, we focus on exploiting…
Motion simulators are widely employed in basic and applied research to study the neural mechanisms of perception and action under inertial stimulations. In these studies, uncontrolled simulator-introduced noise inevitably leads to a…
The modeling and simulation of coupled neuromusculoskeletal-exoskeletal systems play a crucial role in human biomechanical analysis, as well as in the design and control of exoskeletons. However, conventional dynamic simulation frameworks…
Correlation functions, such as static and dynamic structure factors, offer a versatile approach to analyzing atomic-scale structure and dynamics. By having access to the full dynamics from atomistic simulations, they serve as valuable tools…
We present an overview of concepts and results obtained with statistical models in study of nuclear multifragmentation. Conceptual differences between statistical and dynamical approaches, and selection of experimental observables for…
We introduce a rigorous method to microscopically compute the observables which characterize the thermodynamics and kinetics of rare macromolecular transitions for which it is possible to identify a priori a slow reaction coordinate. In…
In any spatially discrete model of pedestrian motion which uses a regular lattice as basis, there is the question of how the symmetry between the different directions of motion can be restored as far as possible but with limited…