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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Yearly Archives 2018
Latest paper is now online
Our latest paper (publication #21) titled “Building and Deploying a Cyberinfrastructure for the Data-Driven Design of Chemical Systems and the Exploration of Chemical Space” is now online at Molecular Simulation, and you can find it here. Congrats to Atif, Mojtaba, Yudhajit, and Johannes!
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Milestones, News, and Publications.
Chris completes MEng degree requirements, becomes 9th MSc/MEng of the group
Today was Chris Bamix’s last day in the group before he goes off for his new job in the real world, i.e., in the US Navy. Chris is the 5th MEng student to graduate from the group. Thanks for your hard work and best of luck for your future career, Chris!
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Graduation, Milestones, News, and Team.
Shirish defends MSc project, becomes 8th MSc/MEng of the group
Shirish Sivaraj gave his MSc project defense titled “ChemBDDB: A Software-Assisted Database Infrastructure for the Exploration of Chemical and Materials Space” today, has thus completed all his degree requirements, and is now the 4th MSc coming out of the group. Congrats, Shirish! Very nice presentation – good job! Shirish will stay with the group for another few weeks to tie up a few loose ends on his project and hand it over to the next generation of students, before he heads out for a job in the industry.
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Graduation, Milestones, News, and Team.
Atif and Mojtaba win NSF Travel Awards to MLSE 2018
Mojtaba and Atif just won NSF Travel Awards to the 2018 Machine Learning in Science and Engineering conference in Pittsburgh (PA) next month. Congrats, guys, good job!
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Awards, Conferences and Meetings, and News.
Johannes at 2018 TechConnect World Innovation Conference
Johannes is in Anaheim, CA, today for the 2018 TechConnect World Innovation Conference. He is going to give an invited talk at the beginning of the Symposium on Informatics, Modeling, and Simulation titled Advancing a Data-Driven In Silico Research Paradigm in the Chemical and Materials Domain.
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Johannes wins 2018 UB AIChE Professor of the Year Award
Johannes received the 2018 UB AIChE Professor of the Year Award during today’s annual banquet of the AIChE UB Chapter.
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Atif defends PhD dissertation, becomes 1st PhD of the group
Mohammad Atif Faiz Afzal gave his PhD dissertation defense titled “From Virtual High-Throughput Screening and Machine Learning to the Discovery and Rational Design of Polymers for Optical Applications” today, has thus completed all his degree requirements, and is now the very first PhD coming out of the group!!! Congrats, Atif! Awesome job – we are very proud of you! Atif will stay on with the group for a few more weeks until he starts his new position as a postdoc with Schrodinger Inc in Portland (OR).
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Graduation, Milestones, News, and Team.
UB News item on Johannes’ NSF CAREER Award
The UB News posted a press release on Johannes’ NSF CAREER Award titled “Three Engineers Receive Coveted NSF CAREER Awards”.
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Awards, Milestones, and News.
Latest paper is now online
Our latest paper (publication #23) titled “Machine Learning and Data Science in Materials Design: A Themed Collection” is now online at Molecular Systems Design & Engineering, and you can find it here. Congrats to Andy Ferguson of UIUC and Johannes!
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Milestones, News, and Publications.