Key research themes
1. How can multiscale modeling frameworks integrate microscopic simulations to capture complex biological phenomena effectively?
This research theme addresses the challenge of representing biological molecules, cells, and entire cellular environments across multiple spatial and temporal scales using microscopic simulations. It explores methodological advances to bridge atomistic to mesoscopic scales, providing detailed structural, mechanical, and dynamical insights into biological systems. Such approaches enable understanding of phenomena that span quantum to cellular timeframes, critical for accurate modeling of DNA dynamics, cellular behavior, and biomolecular interactions.
2. What are the numerical methods and computational tools developed for approximating and managing complex microscopic simulations in systems with no closed-form macroscopic models?
This theme captures recent advances in computational methodologies and software tools that approximate macroscopic dynamics from microscopic simulators when explicit continuum equations are unavailable. It focuses on novel numerical techniques for stable and unstable manifold approximation, surrogate modeling with neural networks, and frameworks that bridge scales without deriving closed-form macroscopic equations. The theme also encompasses software supporting coarse-grained model construction, facilitating flexibility and scalability in simulations for complex biological and physical systems.
3. How can interactive visualization and virtual reality technologies enhance the comprehension and teaching of microscopic and nanoscale phenomena simulated computationally?
This theme explores the role of advanced visualization tools and immersive virtual reality (VR) environments in bridging the gap between abstract microscopic/nanoscale simulation data and human understanding. It reviews innovative software and VR platforms that translate simulation outputs into intuitive, interactive, and stereoscopic experiences for education and research, thereby facilitating conceptual understanding of spatial molecular arrangements, dynamic processes, and nanoscale properties for students and researchers.