Archives for News

Krishnendu’s last day in Buffalo

After being a member of the group since December 2017, Krishnendu had his last day in Buffalo today! Krishnendu defended his MSc thesis in May and has been wrapping up his project over the past few weeks. Tomorrow, he will head out to South Bend, IN, for the next chapter of his career, i.e., to start his PhD studies at the University of Notre Dame. During his graduate studies, Krishnendu has been working on the modeling of Li-ion adsorption on small organic molecules of interest as potential constituents of Li-ion battery anode materials. His project emerged in the context of
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Categories: Graduation, Milestones, News, and Team.

Janhavi’s last day in Buffalo

Today was a bitter-sweet day: After being a member of the group since December 2017, Janhavi had her last day in Buffalo! Janhavi defended her MSc project in May and wrapped up her project over the past few weeks. Tomorrow, she will head out to Delaware for the next chapter of her career, i.e., to start work as a Process Engineer at Kellogg Brown & Root. During her graduate studies, Janhavi has been working on our ChemLG molecular library generator code. Specifically, she has added a graphical user interface as well as a test that gauges the synthetic viability of
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Categories: Graduation, Milestones, News, and Team.

Johannes gives LSAMP Summer Program Coding Crash-Course

Johannes gave a crash course on “Coding for Engineers – An Intro to Python” for the LSAMP Summer Research Internship Program today. It was the second installation of this event since its inaugural 2018 edition and it covered (i) Why coding?; (ii) What is Python? What’s so special about it?; (iii) A survey of Python modules for science and engineering; (iv) How to learn Python; (v) How to get started hands-on. The Louis Stokes Alliance for Minority Participation (LSAMP) program seeks to diversify the STEM workforce by significantly increasing the numbers of students that successfully complete high-quality degree programs in
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Categories: Conferences and Meetings, Initiatives and Outreach, and News.

Aditya, Gaurav, and Johannes at MLSE 2019 in Atlanta, GA

Aditya, Gaurav, and Johannes are currently in Atlanta (GA) for the 2019 Machine Learning in Science and Engineering conference, hosted by Georgia Tech. Aditya will present a poster titled “Machine Learning Models for Hansen Solubility Parameters and their Application in Predicting Solvent-Polymer Interactions” and Gaurav on “Tailoring Genetic Algorithm for Data-Driven Research in Chemistry” tomorrow. Johannes will present an invited talk discussing “Advancing Machine Learning Methodology for Chemistry” in the Session on Machine Learning in Chemistry, Biochemistry, and Materials on Tuesday as well, and he will be one of three panelists on Wednesday’s panel on Reproducibility of Machine Learning in
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Categories: Conferences and Meetings and News.

Janhavi defends MSc project, becomes 10th MSc of the group

Janhavi Dudwadkar gave her MSc project defense titled “Virtual Molecular Library Generation via a Graphical User Interface” today, has thus completed all his degree requirements, and is now the 10th MSc coming out of the group. Congrats, Janhavi! Excellent presentation – we are all very proud of you! Janhavi will stay with the group until July to tie up a few loose end on her project and hand it over to the next generation of students, before she heads out to Delaware to become a Process Engineer in the Industry.
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Categories: Graduation, Milestones, News, and Team.

Krishnendu defends MSc thesis, becomes 9th MSc of the group

Krishnendu Mukherjee gave his MSc thesis defense titled “Computational Modeling of Carboxylic-Based Organic Molecules for Li-Ion Battery Anode Materials” today, has thus completed all his degree requirements, and is now the 9th MSc coming out of the group. Congrats, Krishnendu! Krishnendu will stay with the group over the summer to write up a paper about his MSc research, before he heads out to Indiana to become a PhD student at Notre Dame.
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Categories: Graduation, Milestones, News, and Team.