2020 MRS Fall Meeting

Call for Papers

Symposium MT04—Using Machine Learning and Multiscale Modeling to Study Soft Materials and Interfaces

This symposium is inspired by the Materials Genome Initiative and is focused on study of synthetic and natural soft-materials using theoretical and computational modeling, and machine-learning methods. The nature of nanoscopic units (e.g. biomolecules, polymers etc.) and their macroscopic structures (e.g. micelles, fibers, bilayers, vesicles, helices, emulsions, foams etc.) often determine the properties and applications of the architectures of soft-materials. Recent advances in the experimental characterization techniques have been helpful in improving our understanding of these systems to a certain extent. However, it is still very challenging to predict the final macroscopic structure, properties, stimuli-sensitivity, and emerging collective phenomena, a priori, from knowledge of the atomic constituents of nanoscopic units and processing parameters (solvent, temperature, gas environments etc.). This definitely limits our ability to further develop and improve new soft materials with predefined structure, properties, and function. To overcome these limitations, to test and validate the design, and to predict the characteristics of architectures of soft-materials with precision, advanced multiscale modeling methods and theory combined with machine learning and the state-of-art high performance computing has been employed. This symposium will discuss the design and characterization of structural and dynamical properties of soft materials using machine learning and computational modeling.

Topics will include:

  • Modeling of soft-, biological-, bio-inspired and biomimetic materials across spatial and temporal scales
  • Simulation methods and model development (mesoscale, coarse-grain, atomistic, quantum) for soft materials
  • Processes and properties at surfaces and the interfaces
  • Use of big data, machine learning, and optimization algorithms in modeling soft-matter
  • Prediction, design and explanation of stimuli-responsive and adaptive material properties
  • Modeling active biological and synthetic materials and their collective phenomena
  • Simulations of self- and directed-assembly of biopolymers, biomolecules, polymers, organic molecules, and nano, magnetic and colloids materials
  • Fluids and the role of solvents
  • Using modeling for processing and industrial applications of soft-materials

Invited Speakers:

  • Igor Aronson (Penn State University, USA)
  • Amanda Barnard (Commonwealth Scientific and Industrial Research Organisation, Australia)
  • Meenakshi Dutt (Rutgers, The State University of New Jersey, USA)
  • Andrew Ferguson (National Renewable Energy Laboratory, USA)
  • Laura Filion (Utrecht University, Netherlands)
  • Valeriy Ginzburg (Dow Chemicals, USA)
  • Lisa Hall (The Ohio State University, USA)
  • Arthi Jayaraman (University of Delaware, USA)
  • Alfredo Alexander Katz (Massachusetts Institute of Technology, USA)
  • Sanat Kumar (Columbia University, USA)
  • Jianing Li (University of Vermont, USA)
  • Jane Lipson (Dartmouth College, USA)
  • Rampi Ramprasad (Georgia Institute of Technology, USA)
  • Marisol Ripoll (Forschungszentrum Jülich GmbH, Germany)
  • Subramanian Sankaranarayanan (Argonne National Laboratory, USA)
  • Durba Sengupta (National Chemical Laboratory, India)
  • Letizia Tavagnacco (Sapienza University, Italy)
  • Yaroslova Yingling (North Carolina State University, USA)

Symposium Organizers

Sanket A. Deshmukh
Virginia Tech
Department of Chemical Engineering
USA
540-231-8785, sanketad@vt.edu

Alexander Alexeev
Georgia Institute of Technology
George W. Woodruff School of Mechanical Engineering
USA

Anne-Virginie Salsac
Université de Technologie de Compiègne
Biomechanics and Bioengineering Laboratory
France
+33 (0)3 44 23 73 38, a.salsac@utc.fr

Emanuela Zaccarelli
Consiglio Nazionale delle Ricerche
CNR-ISC (National Research Council - Institute for Complex Systems)
Italy