Posts by jhachmann

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
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Categories: Conferences and News.

Yujie defends her thesis, becomes 2nd MSc of the group

Yujie Tian passed her thesis defense titled “Inheritance of molecular orbital energies from monomer building blocks to larger block-copolymers in organic semiconductors” today and is now the 2nd MSc coming out of the group. Congrats, Yujie! Yujie will stay on with the group until October to finish up some work and plan for her next adventures, so it’s not quite time yet to say goodbye.
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Categories: Milestones, News, and People.

Johannes at the 10th Annual CSTEP Summer Research Symposium

Johannes served (for the third time after 2014 and 2015) as a judge for the 10th Annual Summer Research Poster Symposium of the Collegiate Science & Technology Program (CSTEP) this morning. CSTEP is a grant-funded program sponsored by the New York State Department of Education to support talented underrepresented students pursuing science, technology, engineering, and mathematics (STEM).
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Categories: Community, News, and Outreach.

Johannes at the 22nd Annual McNair Scholars Research Conference

Johannes represented the CBE department at the Student Round Tables during the Grad School Opportunities Fair of the 22nd Annual McNair Scholars Research Conference in Niagara Falls this morning. 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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Categories: News and Outreach.

Bill leaves the group to join Iconics

Today was Bill Evangelista’s last day in the group before he goes off for his new job in the real world, i.e., as a Solutions Engineer at Iconics (a company that develops industrial automation software). Earlier in the day, he gave his last group meeting on the most recent revision of ChemHTPS, which he had been spearheading for the past 1.5 years. Bill is the 2nd MEng student to leave the group. Thanks for all your outstanding work, Bill, and all the best for your future endeavors! Godspeed and come by whenever you are in town!
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Categories: News and People.

Dr. Marcus Hanwell visits the group

Dr. Marcus D. Hanwell from Kitware, Inc. is visiting the group today. Marcus is a Technical Leader in the Scientific Computing group at Kitware, where he leads the Open Chemistry project. Open Chemistry focuses on developing open-source tools to for chemistry, bioinformatics, and materials science research. He completed an experimental PhD in Physics at the University of Sheffield, a Google Summer of Code developing Avogadro and Kalzium, and a postdoctoral fellowship combining experimental and computational chemistry at the University of Pittsburgh before moving to Kitware, Inc. in late 2009. He is still a core developer of Avogadro, a very popular,
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Categories: News and Visitors.

Dr. Peter Limacher visits the group

Dr. Peter A. Limacher from McMaster University is visiting the group for a couple of days. Peter is a postdoc in the Group of Paul Ayers where he works on geminal and reduced density matrix methods. It is great to have him over to Buffalo (it’s just a short way from Hamilton after all) and we are very excited that he’ll give a seminar on the 28th titled “Pair-only coupled cluster from a viewpoint of geminal wave functions: Accurate bond dissociation curves at MP2-like computational cost”. Funny enough, it’s Peter’s first proper visit to the US, so welcome to the
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Categories: News and Visitors.