Related papers: MOOSE: Enabling Massively Parallel Multiphysics Si…
Mobile robots have become indispensable for exploring hostile environments, such as in space or disaster relief scenarios, but often remain limited to teleoperation by a human operator. This restricts the deployment scale and requires…
Imposing known physical constraints, such as conservation laws, during neural network training introduces an inductive bias that can improve accuracy, reliability, convergence, and data efficiency for modeling physical dynamics. While such…
Molecular simulation is a scientific tool dealing with challenges in material science and biology. This is reflected in a permanent development and enhancement of algorithms within scientific simulation packages. Here, we present…
Our middleware approach, Context-Oriented Software Middleware (COSM), supports context-dependent software with self-adaptability and dependability in a mobile computing environment. The COSM-middleware is a generic and platform-independent…
Sustaining high fidelity and high throughput of perception tasks over vision sensor streams on edge devices remains a formidable challenge, especially given the continuing increase in image sizes (e.g., generated by 4K cameras) and…
We present a novel phase-field model development capability in the open source MOOSE finite element framework. This facility is based on the 'modular free energy' approach in which the phase-field equations are implemented in a general form…
Electronic structure simulation (ESS) has been used for decades to provide quantitative scientific insights on an atomistic scale, enabling advances in chemistry, biology, and materials science, among other disciplines. Following standard…
The rapid adoption of pervasive and mobile computing has led to an unprecedented rate of data production and consumption by mobile applications at the network edge. These applications often require interactions such as data exchange,…
Simulations with high accuracy are an essential part of scientific research to accelerate the innovation process. They are especially useful for finding novel approaches or optimizing existing methods. Today, powerful software tools are…
We present an end-to-end differentiable molecular simulation framework (DIMOS) for molecular dynamics and Monte Carlo simulations. DIMOS easily integrates machine-learning-based interatomic potentials and implements classical force fields…
Metal-organic frameworks (MOFs) offer a vast design space, and as such, computational simulations play a critical role in predicting their structural and physicochemical properties. However, MOF simulations remain difficult to access…
Computer simulators can be computationally intensive to run over a large number of input values, as required for optimization and various uncertainty quantification tasks. The standard paradigm for the design and analysis of computer…
We introduce JAX MD, a software package for performing differentiable physics simulations with a focus on molecular dynamics. JAX MD includes a number of physics simulation environments, as well as interaction potentials and neural networks…
This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly…
Frequently, the design of physicochemical processes requires screening of large numbers of alternative designs with complex geometries. These geometries may result in conformal meshes which introduce stability issues, significant…
This paper describes the architecture of MOSE (My Own Search Engine), a scalable parallel and distributed engine for searching the web. MOSE was specifically designed to efficiently exploit affordable parallel architectures, such as…
This work introduces an innovative parallel, fully-distributed finite element framework for growing geometries and its application to metal additive manufacturing. It is well-known that virtual part design and qualification in additive…
We introduce MOS, a software application designed to facilitate the deployment, integration, management, and analysis of mathematical optimization models. MOS approaches mathematical optimization at a higher level of abstraction than…
Continuous control tasks often involve high-dimensional, dynamic, and non-linear environments. State-of-the-art performance in these tasks is achieved through complex closed-box policies that are effective, but suffer from an inherent…
We present an open-source software for the simulation of observables in magnetic resonance experiments, including nuclear magnetic/quadrupole resonance NMR/NQR and electron spin resonance (ESR), developed to assist experimental research in…