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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Yearly Archives 2017
Atif wins 1st Prize of the Buffalo Student Sandbox Competition
Atif and his team have won the 1st Prize of the Buffalo Student Sandbox Competition. Congrats – well done! The Student Sandbox is sponsored by Blackstone LaunchPad, UB’s Office for Business and Entrepreneur Partnerships, and the WNY Incubator Network. Student-run ventures can apply for the opportunity to work alongside seasoned mentors, experienced entrepreneurs, and a venture coach, and attend eight weeks of facilitated learning sessions based on the StartUp CEL curriculum. At the end of the summer, teams pitch their ideas for the chance to win up to $10,000 in additional resources.
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Atif and Johannes at the 23rd Annual McNair Scholars Research Conference
Atif and Johannes represented the CBE department during the UB campus visit, lab tour, and grad student panel discussion that were part of the Grad School Opportunities Fair of the 23rd Annual McNair Scholars Research Conference today. The Ronald E. McNair Post-Baccalaureate Achievement Program at UB is a federally funded TRIO program sponsored by the U.S. Department of Education. The McNair Program is designed to provide encouragement and services to low-income and first-generation college students, and increase participation from underrepresented groups in pursuing doctoral study.
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Aditya elected the new President of the UB Computational Science Club
Aditya was elected the next President of the UB Computational Science Club (CSC) today! Aditya is taking over from Atif, who has been leading the CSC since its founding in 2015.
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Johannes at the Chemical Sciences Roundtable of the National Academy of Science
Johannes was at the National Academy of Science in Washington DC today for a Panel on Data Science in Chemistry and Chemical Engineering that is part of the Chemical Sciences Roundtable. Johannes presentation was titled “How to Make Data Science Work for Chemistry?”.
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Atif wins People’s Choice Award of the 2017 Bright Buffalo Niagara Entrepreneur Expo
Atif and his team have won the People’s Choice Award of the 2017 Bright Buffalo Niagara Entrepreneur Expo. Congrats – well done! Bright Buffalo Niagara is an initiative that pairs startups and business ideas with funding sources that will allow them to prosper and create a long-term economic impact for Buffalo and beyond. Over 100 high-tech companies have pitched their ideas to potential investors at the Annual Entrepreneur Expo since 2009, and others have received free guidance from business mentors through our Mentor Match-Up Program.
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Latest paper is now online
Our latest paper (publication #18) titled “Revisiting the Polytopal Rearrangements in Penta-Coordinate d7-Metallocomplexes: Modified Berry Pseudorotation, Octahedral Switch, and Butterfly Isomerization” is now online at Chemical Science, and you can find it here. Congrats to Rubik, Eli, and Johannes!
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Milestones, News, and Publications.
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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Sykhere Brown joins the group as undergraduate No 12, sponsored by LSAMP Summer Research Internship
Sykhere Brown, a veteran of Johannes’ CE 451 Computer-Aided Research class, joins the group as its 12th undergraduate research assistant. Sykhere will work with Mojtaba on machine learning problems, in particular on devising techniques to assess the range of applicability of data-derived models. His stay in the group during the summer is sponsored by an LSAMP Summer Research Internship. 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 the science, technology, engineering and mathematics (STEM) disciplines. Particular emphasis is placed
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Awards, Initiatives and Outreach, News, and Team.
UB CBE News item on group’s software development efforts
The UB CBE News posted a news item on the group’s software development efforts titled “A Software Ecosystem for the Data-Driven Design of Chemical Systems and the Exploration of Chemical Space”. The item is linked here.
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News.