Archives for Conferences

Johannes at the Humboldt Kolleg on New Vistas in Molecular Thermodynamics

Johannes is in Berkeley, CA, for the next three days for the Humboldt Kolleg on New Vistas in Molecular Thermodynamics. He is going to give an invited talk today at the beginning of the Session on Fundamentals of Chemical Design and Engineering titled Machine Learning the Structure-Property Relationships that Define Chemistry. The Kolleg will also celebrate the 90th birthday of Professor John M. Prausnitz, one of the pioneers of Molecular Thermodynamics.
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Categories: Conferences and News.

Atif at the 254th ACS National Meeting in Washington, DC

Atif is currently in Washington, DC, for the 254th ACS National Meeting. He will give a poster titled “Machine Learning Approach for the Fast and Accurate Prediction of Optical Properties of Organic Molecules” this morning in the CINF Division Scholarship for Scientific Excellence Poster Session and one titled “Discovering Polyimides with Exceptional Optical Properties using First-Principles Modeling, Virtual High-Throughput Screening, and Machine Learning” in the COMP Division Poster Session on Monday as well as in the Sci-Mix Poster Session on Tuesday. He had also submitted a talk for the COMP Division but that session got scrapped. Atif will also meet
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Categories: Conferences and News.

Sykhere presents results of his LSAMP Summer Research Internship

Sykhere’s LSAMP Summer Research Internship in the group is coming to an end and he has been presenting the results of the work he has conducted with Mojtaba on three occasions over the last few days, i.e., at the LSAMP Summer Research Program Symposium (poster) and the 23rd Annual McNair Scholars Research Conference in Niagara Falls (poster and talk). The title of his presentation is “Applicability Domain of Machine Learning Models for the Structurally Limited Chemical Data Sets Generated by Virtual High-Throughput Screening”. The Louis Stokes Alliance for Minority Participation (LSAMP) program seeks to diversify the STEM workforce by significantly
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Categories: Awards, Conferences, News, and Outreach.

Johannes at the 253rd ACS National Meeting in San Francisco

Johannes is currently out in San Francisco for the 253rd ACS National Meeting. He gave an invited talk titled “Rational materials design via machine learning” this morning in the CINF Division Symposium on Materials Informatics and Computational Modeling. He will also present a talk on “Data-driven in silico tools for the rational design of catalytic systems and the exploration of chemical space” during the CATL Division Symposium on Designed Catalysis: Materials Genome Approach to Heterogeneous Processes (while presiding over the session).
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Categories: Conferences and News.

Johannes at the 2016 Theory and Applications of Computational Chemistry conference in Seattle

Johannes is currently out in Seattle for the 2016 Theory and Applications of Computational Chemistry (TACC) conference. He will give an invited talk titled “A Software ecosystem for the data-driven design of chemical systems and the exploration of chemical space” on Wednesday and Chair a session on “Excited States” on Tuesday.
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Categories: Conferences and News.