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!
Read More
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!
Read More
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.
Read More
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).
Read More
The UB News posted a press release on Johannes’ NSF CAREER Award titled “Three Engineers Receive Coveted NSF CAREER Awards”.
Read More
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!
Read More
Our latest paper (publication #19) titled “Combining First-Principles and Data Modeling for the Accurate Prediction of the Refractive Index of Organic Polymers” is now online at The Journal of Chemical Physics, and you can find it here. Congrats to Atif, Chong, and Johannes!
Read More
The UB CBE News posted a news item on Johannes’ NSF CAREER Award, which is linked here.
Read More
Johannes was today awarded the 2018 NSF CAREER Award for his project titled CAREER: Building an Advanced Cyberinfrastructure for the Data-Driven Design of Chemical Systems and the Exploration of Chemical Space (Award #1751161). The award is made by the Office of Advanced Cyberinfrastructure (OAC) within the NSF Directorate for Computer and Information Science and Engineering and funded at a level of $560k. The Faculty Early Career Development Program (CAREER) is NSF’s most prestigious award in support of early-career faculty.
Read More
Vigneshwar Kumaran Sudalayandi Rajeswari passed his thesis defense titled “First-Principles Modeling of Polymer Degradation Kinetics and Virtual High-Throughput Screening of Candidates for Biodegradable Polymers” today and is now the 3rd MSc coming out of the group. Congrats, Vigneshwar, good job! Vigneshwar will stay on with the group for at least another few weeks to finish up some work and plan for his next adventures, so it’s not quite time yet to say goodbye.
Read More