[Case Study] Machine Learning Enabling Accurate Prediction of Precursor Volatility
Predict the evaporation or sublimation temperature with an accuracy of ±9°C on average, calculating hundreds of complexes per second.
A New Path to Precursor Development: Schrödinger's Machine Learning This predictive model opens a new avenue for designing new precursors with improved performance, optimizing not only the deposition and chemistry but also the temperature at which they can evaporate or sublime to be supplied as vapor. This advancement allows for a much broader range of structural changes to be screened computationally than before, enabling the generation of candidate precursors for experimental synthesis and testing that are less risky and more innovative. With this volatility model and the computational workflow for reactivity and decomposition based on Schrödinger's quantum mechanics, a complete design kit for vapor phase deposition and etching is provided, accelerating research on materials and processes for new technologies. *For 50 common metal and metalloid complexes, the evaporation or sublimation temperature at a given vapor pressure is predicted with an accuracy of ±9°C (about 3% of absolute temperature). *It can compute hundreds of complexes per second, resulting in a fast turnaround time. *For more details, please refer to the PDF document or feel free to contact us.
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【Published Items】 ■Challenges in Volatility Prediction ■Approaches Using Machine Learning ■Volatility Prediction Results of Inorganic and Organic Metal Complexes *For more details, please refer to the PDF document or feel free to contact us.
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For more details, please refer to the PDF document or feel free to contact us.
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We will be exhibiting at the "Spring Academic Conference of the Applied Physics Society" from March 22 (Tuesday) to March 26 (Saturday).
Schrödinger, Inc. will be exhibiting at the "Spring Academic Conference of the Japan Society of Applied Physics" held at Aoyama Gakuin University, Sagamihara Campus (Sagamihara City, Kanagawa Prefecture) from March 22 (Tuesday) to March 26 (Saturday), 2022. At our exhibition booth, we will provide explanations of our products and services, as well as consultations regarding any challenges you may have. We look forward to welcoming researchers interested in atomic-level simulations related to semiconductor manufacturing and resin encapsulation using molecular simulation software. Please feel free to stop by!
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We will be exhibiting at "Kansai Plastic Japan" from May 11 (Wednesday) to May 13 (Friday).
Schrödinger, Inc. will be exhibiting at the 10th [Kansai] Plastic Japan (May 11-13, at Intex Osaka). At our booth, you can experience our unique materials development support software based on LiveDesign. Additionally, in a specialized technical seminar, Takashi Ishizaki, Strategic Deployment Manager, will give a lecture titled "Data Accumulation Platform for Utilizing Open Source in Materials Informatics" on May 11 (Wednesday) at 10:00 AM.
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Schrödinger Co., Ltd. is the Japanese subsidiary of Schrödinger Inc., headquartered in New York, USA. Schrödinger has a history of about 30 years in developing software that integrates advanced technologies in chemistry and computer science, primarily in the fields of materials science and life sciences, providing advanced solutions for drug discovery, biologics, and materials research and development.