Monthly Archives May 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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Categories: Milestones, News, and Publications.

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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Categories: Graduation, Milestones, News, and Team.

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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Categories: Graduation, Milestones, News, and Team.