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Date: Thursday, March 6, 2025
Time: 17:00 Central European Time
Speaker: Dr. Nicolas Onofrio, Software for Chemistry and Materials (SCM)
Organizer: TC10 mentee member, Luiz Felipe Aguinsky
Title: Exploring Advanced Materials Modeling with the Amsterdam Modeling Suite
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Abstract:
In this talk Dr. Nicolas Onofrio will present the Amsterdam Modeling Suite (AMS), a powerful software package for atomistic simulations across diverse levels of theory. AMS offers seamless integration with computational engines such as Density Functional Theory, Tight Binding, and Force Fields, making it an invaluable platform for exploring potential energy surfaces (PES) in molecules and periodic systems. Its innovative features include ParAMS, a module to tune atomistic model parameters as well as an active learning workflow for efficient PES exploration. These capabilities enable rapid predictions of material properties and reaction mechanisms, driving advancements in batteries, semiconductors, polymers, and OLEDs. With an intuitive Python interface, AMS empowers researchers to automate workflows, screen materials, and optimize critical properties, providing a comprehensive toolkit for accelerating innovation in chemistry and materials science.
Bio:
Dr. Nicolas Onofrio is a Technical Sales Representative at Software for Chemistry & Materials (SCM), where he leverages his expertise in computational materials science, theoretical chemistry, and machine learning to support researchers and industries in utilizing the Amsterdam Modeling Suite (AMS). Dr. Onofrio earned his PhD from Grenoble Alpes University in 2011 followed by a postdoctoral stay at Purdue University, where he also served as a Visiting Assistant Professor from 2012 to 2016. From 2016, Dr. Onofrio was an Assistant Professor at the Hong Kong Polytechnic University, where his research spanned atomistic simulations, material property optimization, and innovative computational techniques.
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