Posts by jhachmann

Po-Han gives final MSc project presentation, becomes 6th MSc of the group

Po-Han Chen gave his project presentation titled “Using Concepts from Active Learning and Applicability Domain to Enhance Predictive Modeling” today, has thus completed all his degree requirements, and is now the 6th MSc coming out of the group. Congrats, Po-Han! Po-Han will stay on with the group while he is planning and fleshing out his next career move, so it’s not quite time to say goodbye, yet.
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Categories: Milestones and News.

Atif’s last day in Buffalo

Today was a day of pride, joy, and a good dose of sadness: After being a key member and cornerstone of the group since May 2014, Atif had his last day in Buffalo today! Atif defended his PhD thesis this past May and (more or less) wrapped up some of his projects over the past few months. Tomorrow, he is heading out to Portland (OR) for the next chapter of his academic career, i.e., to start work as a Postdoc for Schroedinger, Inc.. During his graduate studies, Atif has been spearheading the group’s work on the modeling and design of
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Categories: Milestones, News, and Team.

Atif, Arpit, Andrew, and Johannes at FOMMS 2018

Atif, Arpit, Andrew, and Johannes are in Delavan (WI) this week for the 2018 Conference on Foundations of Molecular Modeling and Simulation – Innovations for Complex Systems (FOMMS 2018). Atif will present a poster on Wednesday titled “Large-Scale Exploration of Chemical Moieties for the Design of Next-Generation High-Refractive-Index Polymers“, Andrew will have presentations on his work with the Kofke Group, and Johannes will chair the Session on Quantum Chemistry for Challenging Systems.
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Categories: Conferences and News.

Mojtaba wins 2018 MolSSI Software Fellowship

Mojtaba was awarded a 2018 Phase-I MolSSI Software Fellowship yesterday. These prestigious awards by the Molecular Sciences Software Institute (MolSSI) recognize advanced graduate students and postdocs pursuing the development of software infrastructure, middleware, and frameworks that will benefit the broader field of computational molecular sciences, including biomolecular and macromolecular simulation, quantum chemistry, and materials science. In addition to a generous stipend, fellows receive specialized training in state-of-the-art software design principles and tools, and they engage in outreach and educational efforts organized by the MolSSI.
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Categories: Awards and News.

Atif, Mojtaba, and Johannes at MLSE 2018

Atif, Mojtaba, and Johannes are in Pittsburgh (PA) this week for Machine Learning in Science and Engineering 2018. Mojtaba will present a poster on Wednesday titled “Software Development and its Application for Predicting Optical Properties in Molecular Space: ChemML Program Suite, Machine Learning in Science and Engineering“, Atif will have a poster on Friday on “Harnessing Virtual High-Throughput Screening and Machine Learning for the Discovery of Novel High-Refractive-Index Polymers“, and Johannes will give an invited talk discussing “Advancing Molecular Property Predictions and Design with Machine Learning” on Friday as well. All presentations are part of the MLSE Symposium on Predicting
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Categories: Conferences and News.