LOPEC 2025
Date & Time - February 25th-27th, 2025
Location - Munich, Germany
Schrödinger is excited to be participating in the LOPEC 2025 taking place on February 25th – 27th in Munich, Germany. Join us for a presentation by Hadi Abroshan, Principal Scientist at Schrödinger, titled “Integrating Atomistic Simulations, Machine Learning, and Cloud-Based Collaboration for Next-Generation Electronic Materials.” Stop by booth #B0313 to speak with Schrödinger scientists.
FEB 26 | 15:20 CET 
Room 2 Integrating Atomistic Simulations, Machine Learning, and Cloud-Based Collaboration for Next-Generation Electronic Materials
Speaker:
Hadi Abroshan, Principal Scientist, Schrödinger
Abstract:
The creation of next-generation display technologies hinges on innovative research strategies and collaborative tools. This presentation highlights how the integration of physics-based simulations, machine learning (ML), and a cloud-enabled platform accelerates the discovery and refinement of advanced optoelectronic materials.
We introduce the Schrödinger digital chemistry platform, which facilitates advanced simulations of optoelectronic materials, spanning from individual molecules to thin films developed via vacuum deposition or solution processing. This platform’s automated capabilities predict key material properties such as electronic transitions, hyperfluorescence, charge carrier mobility, refractive index, thermophysics, interfacial mixing, and molecular orientation.
We then explore the synergy between physics-based simulations and ML, which significantly streamlines the materials discovery process. By analyzing large datasets and identifying trends, ML allows for faster predictions of material properties. An active learning screening process efficiently pinpoints promising candidates based on multiple properties, all while reducing computational cost.
Further, we discuss genetic optimization algorithms that drive the development of new materials for electroluminescent devices. These algorithms emulate natural selection, refining material properties iteratively to uncover high-performance compounds tailored to specific targets. When combined with high-throughput screening, this approach accelerates the exploration of chemical space, leading to rapid material advancement.
Lastly, we introduce Schrödinger’s LiveDesign, a web-based collaboration platform that enhances modern R&D by integrating advanced modeling, data management, and ideation. LiveDesign empowers research teams to collaborate effectively, regardless of geographic location, supporting a seamless end-to-end research workflow.