Archives for Conferences

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
Read More

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
Read More

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).
Read More

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.
Read More

Categories: Conferences and News.

Atif, Mojtaba, Yudhajit, and Johannes at the 252nd ACS National Meeting in Philadelphia

Atif, Mojtaba, Yudhajit, and Johannes are heading out to Philadelphia today at the 252nd ACS National Meeting. The group has a busy program with the following events: Sun (Aug 21), 9:30am – 9:45am, Maestro A/DoubleTree: ACS PHYS “Accelerating discovery: Citizen science, big data and machine learning for physical chemistry”, Johannes (session intro talk) Sun (Aug 21), 11:00am – 11:30am, Benton/Sonesta: ACS COMP “ChemLG – A smart and massively parallel molecular library generator”, Atif (talk) Sun (Aug 21), 1:30pm – 2:00pm, Warhol/Sonesta: ACS COMP “A Software ecosystem for the data-driven design of chemical systems and the exploration of chemical space”, Johannes
Read More

Categories: Conferences and News.