Speakers from the world's largest organizations will share their needs and experiences with many world first announcements. Learn of the requirements and case studies from end users and hear all about the latest innovations from companies across the value chain. In total, hear insights from 250 speakers. Register now!
Modeling Material Properties At The Atomistic Level
Santa Clara Convention Center, CA, USA
14:30 - 14:50
Ultimately, material properties are determined at the atomistic level. Materials modeling helps to understand and predict these properties from a bottom up approach. The Amsterdam Modeling Suite offers electronic structure methods (DFT, DFTB) to calculate properties such as band gaps, phosphorescence, and charge mobility, while reactive atomistic molecular dynamics (ReaxFF) gives insight in dynamical processes such as CVD, polymerization, and stress-strain. Integration with mesoscale and macroscale simulation tools are underway. We will demonstrate how these computational chemistry methods can advance materials design, by examples from batteries, photovoltaics, OLEDs, and 2D materials research.
Company Profile (Software for Chemistry & Materials)
Scientists at SCM are passionate about making computational chemistry work for you, to help your research and development. We feel strongly about developing user-friendly and powerful software, to make your research life easier. We always value feedback on how to further improve our software in terms of capabilities, speed and usability!