After being a member of the group since December 2017, Krishnendu had his last day in Buffalo today! Krishnendu defended his MSc thesis in May and has been wrapping up his project over the past few weeks. Tomorrow, he will head out to South Bend, IN, for the next chapter of his career, i.e., to start his PhD studies at the University of Notre Dame. During his graduate studies, Krishnendu has been working on the modeling of Li-ion adsorption on small organic molecules of interest as potential constituents of Li-ion battery anode materials. His project emerged in the context of
Read More
Yearly Archives 2019
Janhavi’s last day in Buffalo
Today was a bitter-sweet day: After being a member of the group since December 2017, Janhavi had her last day in Buffalo! Janhavi defended her MSc project in May and wrapped up her project over the past few weeks. Tomorrow, she will head out to Delaware for the next chapter of her career, i.e., to start work as a Process Engineer at Kellogg Brown & Root. During her graduate studies, Janhavi has been working on our ChemLG molecular library generator code. Specifically, she has added a graphical user interface as well as a test that gauges the synthetic viability of
Read More
Mojtaba defends PhD dissertation, becomes 2nd PhD of the group
Mojtaba Haghighatlari gave his PhD dissertation defense titled “Making Machine Learning Work in Chemistry: Methodological Innovation, Software Development, and Application Studies” today, has thus completed all his degree requirements, and is now the 2nd PhD coming out of the group. Congrats, Mojtaba! Excellent job – we are very proud of you! Mojtaba will stay on with the group for a little while until he is moving to UC Berkeley to become a postdoc in the group of Teresa Head-Gordon.
Read More
Johannes gives LSAMP Summer Program Coding Crash-Course
Johannes gave a crash course on “Coding for Engineers – An Intro to Python” for the LSAMP Summer Research Internship Program today. It was the second installation of this event since its inaugural 2018 edition and it covered (i) Why coding?; (ii) What is Python? What’s so special about it?; (iii) A survey of Python modules for science and engineering; (iv) How to learn Python; (v) How to get started hands-on. The Louis Stokes Alliance for Minority Participation (LSAMP) program seeks to diversify the STEM workforce by significantly increasing the numbers of students that successfully complete high-quality degree programs in
Read More
Mojtaba at IPAM Reunion Conference in San Bernardino, CA
Mojtaba is currently in San Bernardino (CA) for the 2019 Reunion Conference for IPAM’s Workshop on Machine Learning for Many-Particle Systems. Mojtaba will present a talk titled “Robust and Generalized Structure-Property Relationships by Redesigning Machine Learning Training Sets” on Tuesday morning.
Read More
Aditya, Gaurav, and Johannes at MLSE 2019 in Atlanta, GA
Aditya, Gaurav, and Johannes are currently in Atlanta (GA) for the 2019 Machine Learning in Science and Engineering conference, hosted by Georgia Tech. Aditya will present a poster titled “Machine Learning Models for Hansen Solubility Parameters and their Application in Predicting Solvent-Polymer Interactions” and Gaurav on “Tailoring Genetic Algorithm for Data-Driven Research in Chemistry” tomorrow. Johannes will present an invited talk discussing “Advancing Machine Learning Methodology for Chemistry” in the Session on Machine Learning in Chemistry, Biochemistry, and Materials on Tuesday as well, and he will be one of three panelists on Wednesday’s panel on Reproducibility of Machine Learning in
Read More
Janhavi defends MSc project, becomes 15th MSc/MEng of the group
Janhavi Dudwadkar gave her MSc project defense titled “Virtual Molecular Library Generation via a Graphical User Interface” today, has thus completed all his degree requirements, and is now the 10th MSc coming out of the group. Congrats, Janhavi! Excellent presentation – we are all very proud of you! Janhavi will stay with the group until July to tie up a few loose end on her project and hand it over to the next generation of students, before she heads out to Delaware to become a Process Engineer in the Industry.
Read More
Krishnendu defends MSc thesis, becomes 14th MSc/MEng of the group
Krishnendu Mukherjee gave his MSc thesis defense titled “Computational Modeling of Carboxylic-Based Organic Molecules for Li-Ion Battery Anode Materials” today, has thus completed all his degree requirements, and is now the 9th MSc coming out of the group. Congrats, Krishnendu! Krishnendu will stay with the group over the summer to write up a paper about his MSc research, before he heads out to Indiana to become a PhD student at Notre Dame.
Read More
UB SEAS News item on 2019 Symposium on Job and Career Perspectives for Students in the Computational Sciences
The UB SEAS News posted a press release on the 5th Annual UB Symposium on Job and Career Perspectives for Students in the Computational Sciences titled “Computational Research Professionals Share Career Advice with Students”.
Read More
5th Annual UB Symposium on Job and Career Perspectives for Students in the Computational Sciences
The 5th Annual UB Symposium on Job and Career Perspectives for Students in the Computational Sciences will take place today, and mark the final event of the 5th Annual UB CDSE Days. This year, the venue for the symposium is 206 Furnas Hall and the event will run from 11am to 4:30pm. We are excited to welcome Dr. Scott Wierzchowski (Shell Oil, previously Schlumberger, UB alumnus), Dr. Janice Steckel (NETL), Dr. Mardochee Reveil (Corning, previously Intel), Dr. Andrew Taube (DE Shaw Research, previously Sandia National Lab), and Dr. Suddha Talukdar (Intel, UB alumnus) as our invited speakers. Dr. Abani Patra,
Read More