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Predictive models and simulations in nano-and biomolecular mechanics: a multiscale approach
 

Summary: Predictive models and simulations in nano- and
biomolecular mechanics: a multiscale approach
Principal Investigator: Marino Arroyo
LaCàN Grup de Mètodes Numèrics en Ciencies Aplicades i Enginyeria
Departament de Matemàtica Aplicada III
Universitat Politècnica de Catalunya
Objectives
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Computer simulations allow us to perform virtual tests to analyze and design all kinds of
engineering systems, drugs or nano-structured materials. These tests can be expensive or even
impossible to conduct experimentally. Unfortunately, even in supercomputing platforms, it is
impossible to directly simulate with accurate models the complexity of many important systems
because of the intimate interplay between microscopic phenomena and the observable
macroscopic behavior. In this project, we plan to develop models and computational techniques
to predict the behavior or nano-structured materials, biomembranes and biomacromolecules.
Integrating diverse scientific disciplines, we aim at systematically incorporating the net effect of
atomic-scale phenomena on coarser scales, discarding the irrelevant details.
Multiscale mechanics of carbon nanotubes Simulation of fluid membranes
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Source: Arroyo, Marino - Departament de Matemàtica Aplicada III, Universitat Politècnica de Catalunya

 

Collections: Engineering; Materials Science