Quo vadis multiscale modeling in reaction engineering?–A perspective
This work reports the results of a perspective workshop held in summer 2021 discussing the
current status and future needs for multiscale modeling in reaction engineering. This …
current status and future needs for multiscale modeling in reaction engineering. This …
Refining the causal loop diagram: A tutorial for maximizing the contribution of domain expertise in computational system dynamics modeling.
Complexity science and systems thinking are increasingly recognized as relevant
paradigms for studying systems where biology, psychology, and socioenvironmental factors …
paradigms for studying systems where biology, psychology, and socioenvironmental factors …
Roadmap on multiscale materials modeling
Modeling and simulation is transforming modern materials science, becoming an important
tool for the discovery of new materials and material phenomena, for gaining insight into the …
tool for the discovery of new materials and material phenomena, for gaining insight into the …
[HTML][HTML] Towards developing multiscale-multiphysics models and their surrogates for digital twins of metal additive manufacturing
Artificial intelligence (AI) embedded within digital models of manufacturing processes can be
used to improve process productivity and product quality significantly. The application of …
used to improve process productivity and product quality significantly. The application of …
System dynamics at sixty: the path forward
J Sterman - System Dynamics Review, 2018 - Wiley Online Library
Abstract The late Jay Forrester founded the field of system dynamics 60 years ago. On this
anniversary I ask what lessons his remarkable life of innovation and impact hold for the field …
anniversary I ask what lessons his remarkable life of innovation and impact hold for the field …
Machine learning-driven multiscale modeling: bridging the scales with a next-generation simulation infrastructure
Interdependence across time and length scales is common in biology, where atomic
interactions can impact larger-scale phenomenon. Such dependence is especially true for a …
interactions can impact larger-scale phenomenon. Such dependence is especially true for a …
Coarse-grained modelling out of equilibrium
T Schilling - Physics Reports, 2022 - Elsevier
Abstract Active matter, responsive (“smart”) materials and materials under time-dependent
load are systems out of thermal equilibrium. To construct coarse-grained models for such …
load are systems out of thermal equilibrium. To construct coarse-grained models for such …
Socio-technical scales in socio-environmental modeling: Managing a system-of-systems modeling approach
Abstract System-of-systems approaches for integrated assessments have become prevalent
in recent years. Such approaches integrate a variety of models from different disciplines and …
in recent years. Such approaches integrate a variety of models from different disciplines and …
[HTML][HTML] Application of quantum computing to biochemical systems: A look to the future
HP Cheng, E Deumens, JK Freericks, C Li… - Frontiers in …, 2020 - frontiersin.org
Chemistry is considered as one of the more promising applications to science of near-term
quantum computing. Recent work in transitioning classical algorithms to a quantum …
quantum computing. Recent work in transitioning classical algorithms to a quantum …
Chemically Specific Multiscale Modeling of Clay–Polymer Nanocomposites Reveals Intercalation Dynamics, Tactoid Self‐Assembly and Emergent Materials …
A quantitative description is presented of the dynamical process of polymer intercalation into
clay tactoids and the ensuing aggregation of polymer‐entangled tactoids into larger …
clay tactoids and the ensuing aggregation of polymer‐entangled tactoids into larger …