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APS March Meeting 2024 - Focus Session "Com ... (No replies)

Corey Oses
9 months ago
Corey Oses 9 months ago

Dear colleagues,

We invite you to submit abstracts for contributed oral presentations to the APS Focus Session 16.01.19 “Computational Design, Understanding, and Discovery of Novel Materials” organized by Corey Oses, Ravishankar Sundararaman, Eric Jankowski, and Demet Usanmaz.

The focus session covers all materials design efforts employing computational approaches; see the full description below. The session is sponsored by DCOMP, DMP, and DCMP, and is cross listed under 12.01.05.

The abstract submission deadline is October 20, 2023.
We look forward to seeing you in Minneapolis.

Best regards,
Corey, Shankar, Eric, and Demet

DESCRIPTION: Data and algorithms are essential components of materials research, aiding and guiding experiments and accelerating simulations. Data-driven approaches improve upon the brute-force combinatorial methods of the past, providing a general strategy for materials development that is systematic/targeted as well efficiently exploratory. This focus topic features efforts that leverage such techniques to design and discovery new materials with desired properties. Abstracts are solicited in computational materials design and discovery, development of accessible and sustainable data infrastructure, development of new data analytic tools and statistical algorithms, ab-initio simulation development, advanced simulations of materials properties in conjunction with new device functionality, data uncertainty quantification, advances in predictive modeling that leverage machine learning and data mining, algorithms for global structure and property optimizations, thermodynamic modeling, and computational modeling of materials synthesis. The technical applications include and are not limited to electronic and optoelectronic materials, magnetic materials and spintronics, energy conversion and storage materials, polymers and soft materials, metallic alloys, phase stability including the effect of excitations and their interactions, and two-dimensional materials. Contributions that feature strong connection to experiments are of special interest.

This year, the meeting runs from March 3-8, 2024 in Minneapolis, Minnesota (USA): https://march.aps.org.




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Ab initio (from electronic structure) calculation of complex processes in materials