ICMCTF 2020 IS CANCELLED
Twitter
#ICMCTF2020
ICMCTF_2020_logo_207x46
avs_sponsored_advancedsurf140x62
  • Overview
    • Introduction & Greetings
    • Organizing Committee
      • Symposium & Session Chairs
    • Awards
      • R.F. Bunshah Annual Award & ICMCTF Lecture Recipient
      • Bill Sproul Award and Honorary ICMCTF Lecture Recipient
      • Graduate Student Award Finalists
    • Lecture Series: Plenary and Exhibitor Keynote
    • Special Events
    • Vendor Exhibit
    • Career Center
    • Manuscripts
    • Sponsors & Advertisers
      • Sponsorship Opportunities
    • Photos
  • Symposia
    • A. Coatings for Use at High Temperatures
    • B. Hard Coatings and Vapor Deposition Technologies
    • C. Fundamentals and Technology of Multifunctional Materials and Devices
    • D. Coatings for Biomedical and Healthcare Applications
    • E. Tribology and Mechanical Behavior of Coatings and Engineered Surfaces
    • F. New Horizons in Coatings and Thin Films
    • G. Surface Engineering – Applied Research and Industrial Applications
    • H. Advanced Characterization Techniques for Coatings, Thin Films, and Small Volumes
    • TS1. Anti- and De-icing Surface Engineering
    • TS2. New Horizons in Boron-Containing Coatings: Modeling, Synthesis and Applications
    • TS3. In-silicio Design of Novel Materials by Quantum Mechanics and Classical Methods
    • TS4. Photocatalytic and Superhydrophilic Surfaces
    • TS5. Thin Films on Polymer Substrates: Flexible Electronics and Beyond
  • Short Courses
    • Plasmas in Physical Vapor Deposition, Including Arcs and HiPIMS – 4/26/20
    • In-situ and Ex-situ Ellipsometry Characterizations of Thin Films – 4/26/20
    • NEW! Design and Deposition of Hard and Superhard Coatings – 4/27/20
    • Reactive Magnetron Sputter Deposition – 4/27/20
    • NEW! Atmospheric Pressure Plasma: Principles, Sources and Applications – 4/28/20
    • Practical Thin Film Characterization – 4/28/20
    • Fundamentals of HiPIMS Plasmas for Thin Film Deposition – 4/29/20
    • Nanomechanics and Tribology of Thin Film Coatings – 4/29/20
    • Industrial Surface Engineering: Fundamentals, Practice and Applications – 4/30/20
    • Understanding and Control Stresses in PVD Thin Films – 4/30/20
  • Housing & Travel
  • Program & Schedule
    • Mobile App
    • Technical Program & Scheduler
      • Technical Program (PDF)
    • Presentation & Poster Guidelines
    • Abstract Book
  • Register

TS3. In-silicio Design of Novel Materials by Quantum Mechanics and Classical Methods

Topical Symposium 3 – (Jointly sponsored by ICMCTF and AQS)

With increasingly complex materials being synthesized for an ever-growing range of applications, there is a great need for understanding material properties at the atomistic and electronic level. To this end, quantum mechanical and classical methods are incredibly powerful tools capable of guiding the entire design process. Tremendous improvements in computational resources, coupled with software development in recent years, make it possible to calculate real materials properties and thus provide a roadmap for experimental materials synthesis.

This TS will cover a range of computational methodologies employed in materials design, incorporating fundamental first-principles calculations probing structure-property relationships, density-functional ab initio molecular dynamics (AIMD) simulations at finite temperatures that allow us to identify atomistic processes and associated changes in electronic structure which control strength, plasticity, and fracture in materials, through to large-scale ‘virtual experiments’ tackled using a classical Molecular Dynamics approach.

This session will bring together world-experts in computational materials science with the broad community of thin film and coating growers within ICMCTF. It will highlight representative examples of data-driven materials design, which span from theoretical prediction to experimental validation via synthesis, characterization, and testing, showcasing rapid iteration between ideas, computations, insight and new materials development.

TS3. Invited Speakers:
  • Grégory Abadias, Institut Pprime – CNRS – ENSMA – Université de Poitiers, France, “Computational Modeling of 3D Thin Film Growth Morphology: Influence of Angular and Energy Distribution of Particle Flux”
  • Björn Alling, Linköping Univ., IFM, Thin Film Physics Div., Sweden
  • Giacomo Po, University of Miami, USA, Plasticity and Fracture in Transition Metal Carbides
  • Jochen Michael Schneider, RWTH Aachen University, Germany, “Are Hard Coatings Predictable?”
  • Susan Sinnott, Penn State University, USA, “Growth and Properties of Thin Films”

Follow Us

Tweets by AVS_Members

Key Dates

ICMCTF Awards Deadline:
October 1, 2019

Late News Abstract Deadline:
February 5, 2020

Early Registration Deadline:
March 20, 2020

Hotel Reservation Deadline:
March 20, 2020

Manuscript Deadline:
March 20, 2020

Downloads

  • Call for Abstracts FlIer
  • Presentation & Poster Guidelines

Contact

ICMCTF
Yvonne Towse

Conference Administrator
125 Maiden Lane; Suite 15B
New York, N.Y. 10038
icmctf@icmctf.org

 

OverviewSymposiaShort CoursesHousing & TravelProgram & ScheduleRegister
© 2019 AVS. All Rights Reserved.