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Accelerating quantum dynamical simulations with quantum computing has received considerable attention but remains a significant challenge. In variational quantum algorithms for quantum dynamics, designing an expressive and shallow-depth…

Numerical N-body simulations are commonly used to explore stability regions around exoplanets, offering insights into the possible existence of satellites and ring systems. This study aims to utilize Machine Learning (ML) techniques to…

We present a hybrid continuum-atomistic scheme which combines molecular dynamics (MD) simulations with on-the-fly machine learning techniques for the accurate and efficient prediction of multiscale fluidic systems. By using a Gaussian…

We present a novel framework that integrates Large Language Models (LLMs) with automated planning and formal verification to streamline the creation and use of Markov Decision Processes (MDP). Our system leverages LLMs to extract structured…

Modern climate projections lack adequate spatial and temporal resolution due to computational constraints, leading to inaccuracies in representing critical processes like thunderstorms that occur on the sub-resolution scale. Hybrid methods…

There exists an increasing interest for using immersed boundary methods (IBMs) (Peskin 2000) to model moving objects in computational fluid dynamics. Indeed, this approach is particularly efficient, because the fluid mesh does not require…

Shallow landslides pose a significant threat to people and infrastructure. While often modeled based on limit equilibrium analysis, finite or discrete elements, continuum particle-based approaches like the Material Point Method (MPM) have…

This paper presents a Nonlinear Model Predictive Control (NMPC) scheme targeted at motion planning for mechatronic motion systems, such as drones and mobile platforms. NMPC-based motion planning typically requires low computation times to…

An algorithm is proposed to implement unsteady jump boundary conditions, presenting discontinuity in physical quantities, within the lattice Boltzmann method (LBM). This is useful to tackle problems involving mass or heat transfer through…

We develop a new algorithm for the Brownian dynamics of soft matter systems that evolves time by spatially correlated Monte Carlo moves. The algorithm uses vector wavelets as its basic moves and produces hydrodynamics in the low Reynolds…

Computational modeling of multicellular systems may aid in untangling cellular dynamics and emergent properties of biological cell populations. A key challenge is to balance the level of model detail and the computational efficiency, while…

While motion planning of locomotion for legged robots has shown great success, motion planning for legged robots with dexterous multi-finger grasping is not mature yet. We present an efficient motion planning framework for simultaneously…

We provide an algorithm for adaptive legged locomotion via online learning and model predictive control. The algorithm is composed of two interacting modules: model predictive control (MPC) and online learning of residual dynamics. The…

Clinical decision support systems require models that are not only highly accurate but also equitable and sensitive to the implications of missed diagnoses. In this study, we introduce a knowledge-guided in-context learning (ICL) framework…

This paper introduces a novel nonlinear model predictive control (NMPC) framework that incorporates a lifting technique to enhance control performance for nonlinear systems. While the lifting technique has been widely employed in linear…

In the spirit of the fewest switches surface hopping, the frozen Gaussian approximation with surface hopping (FGA-SH) method samples a path integral representation of the non-adiabatic dynamics in the semiclassical regime. An improved…

Large Language Models (LLMs) possess extensive foundational knowledge and moderate reasoning abilities, making them suitable for general task planning in open-world scenarios. However, it is challenging to ground a LLM-generated plan to be…

Since Lorenz's seminal work on a simplified weather model, the numerical analysis of nonlinear dynamical systems has become one of the main subjects of research in physics. Despite of that, there remains a need for accessible, efficient,…

Machine learning (ML) potentials typically target a single quantum chemical (QC) level while the ML models developed for multi-fidelity learning have not been shown to provide scalable solutions for foundational models. Here we introduce…

This paper presents a 2D/3D Free Surface Lattice Boltzmann Method simulation package called LBfoam for the simulation of foaming processes. The model incorporates the essential physics of foaming phenomena: gas diffusion into nucleated…