ICSMV 2026
Symposia

Computational and Theoretical Design of Materials and Interfaces

Chairs

Overview

The aim of this symposium is to bring together experts in the field of surfaces and interfaces to discuss recent developments in electronic and transport properties of bulk materials, surfaces, optical properties, physical properties of clusters, and 2D materials,  Density Functional Theory and Time Dependent DFT.

Topics of Interest

  • Density Functional Theory and data-driven approaches for materials science (DFT, machine learning, high-throughput and automated workflows)
  • Time-dependent density functional theory and excited-state phenomena
  • Molecular dynamics and statistical simulations (classical, ab initio, and machine-learning interatomic potentials)
  • Transport, optical, vibrational and electron-phonon properties
  • Physical properties of nanostructures, surfaces and interfaces
  • Defects, semiconductors and quantum materials
  • Energy applications: (Information and energy storage, environmental remediation, electronic and optoelectronic materials).

Submit Your Contribution

We invite scholars and researchers to present their latest results, experimental insights and technological developments in this evolving and foundational area of materials science.

Submit Paper