相关论文: Real-time experiment-theory closed-loop interactio…
To retrieve and compare scientific data of simulations and experiments in materials science, data needs to be easily accessible and machine readable to qualify and quantify various materials science phenomena. The recent progress in open…
Stochastic multi-scale modeling and simulation for nonlinear thermo-mechanical problems of composite materials with complicated random microstructures remains a challenging issue. In this paper, we develop a novel statistical higher-order…
Aluminum nanoparticles (ANPs) are among the most energy-dense solid fuels, yet the atomic mechanisms governing their transition from passivated particles to explosive reactants remain elusive. This stems from a fundamental computational…
Biased sampling of collective variables is widely used to accelerate rare events in molecular simulations and to explore free energy surfaces. However, computational efficiency of these methods decreases with increasing number of collective…
Model merging aims to combine multiple task-specific expert models into a single model while preserving generalization across diverse tasks. However, interference among experts, especially when they are trained on different objectives,…
Ultra-cold atoms trapped by light, with their robust quantum coherence and controllability, provide an attractive system for quantum information processing and for simulation of complex problems in condensed matter physics. Many quantum…
Chemists need to perform many laborious and time-consuming experiments in the lab to discover and understand the properties of new materials. To support and accelerate this process, we propose a robot framework for manipulation that…
We consider the matrix composite materials (CM) of either random (statistically homogeneous or inhomogeneous), periodic, or deterministic (neither random nor periodic) structures. CMs exhibit linear or nonlinear behavior, coupled or…
As AI agents become increasingly capable of complex knowledge tasks, the lack of context limits their capability to proactively reason about a user's latent needs throughout a long evolving project. In scientific research, many researchers…
Voltage breakdown in high-voltage pulsed vacuum systems arises from nonlinear multiscale interactions among circuit dynamics, kinetic plasma evolution, and ion-induced secondary electron emission (SEE) at electrode surfaces. Although…
Atomistic-continuum multiscale modelling is becoming an increasingly popular tool for simulating the behaviour of materials due to its computational efficiency and reliable accuracy. In the case of ferromagnetic materials, the atomistic…
Structurally and chemically complex materials such as amorphous metallosilicates underpin major catalytic and separation technologies, yet their intrinsic complexity challenges reliable atomistic modeling under realistic conditions.…
To achieve optimal robot behavior in dynamic scenarios we need to consider complex dynamics in a predictive manner. In the vehicle dynamics community, it is well know that to achieve time-optimal driving on low surface, the vehicle should…
Autonomous agents (robots) face tremendous challenges while interacting with heterogeneous human agents in close proximity. One of these challenges is that the autonomous agent does not have an accurate model tailored to the specific human…
The prediction of the three-dimensional structures of the native state of proteins from the sequences of their amino acids is one of the most important challenges in molecular biology. An essential ingredient to solve this problem within…
Closure modeling - the statistical modeling of missing dynamics in the natural sciences and engineering - is a growing and active area of research. Existing methods for closure modeling are often computationally prohibitive, lack…
Molecular building blocks interacting at the nanoscale organize spontaneously into stable mono- layers that display intriguing long-range ordering motifs on the surface of atomic substrates. The patterning process, if appropriately…
Damping of structures and systems is often dominated by frictional dissipation in connections, the prediction of which remains a longstanding scientific challenge. Previous studies have shown that the actual topography of contact interfaces…
In the BCS limit density profiles for unpolarized trapped fermionic clouds of atoms are largely featureless. Therefore, it is a delicate task to analyze them in order to quantify their respective interaction and temperature contributions.…
The current bulk materials discovery cycle has several inefficiencies from initial computational predictions through fabrication and analyses. Materials are generally evaluated in a singular fashion, relying largely on human-driven…