Danny enrolls in PhD program in ChemE at UIUC!
huge congratulations to Danny Casey-Hain, who in Fall 2024 will enroll in the Chemical and Biomolecular Engineering PhD program at the University of Illinois Urbana-Champaign (UIUC)! in our research group, Danny worked on molecular graph kernels to score the similarity between molecules for machine learning models.
Grant awarded NSF graduate fellowship
huge congratulations to Grant McConachie, a former undergraduate researcher in our group (see his co-authored paper here), who was awarded an NSF (GRFP) fellowship! Grant is currently a PhD student at Boston University in the Department of Biomedical Engineering. his research attempts to understand how animals encode olfactory stimuli. specifically, Grant is using graph neural networks to model odor interactions with sensory neurons and biophysically constrained neural networks to model propagation of odor information to higher brain regions.
Nick → Dr. Gantzler and postdoc at Sandia National Labs
huge congratulations to Dr. Nick Gantzler for earning his PhD in Physics! Nick is the second PhD student to graduate from the Simon Ensemble.
the title of Nick’s thesis is “in silico screening of nanoporous materials for gas sensing and separation”. check out his papers on Google Scholar.
after graduation, Nick will work at Sandia National Labs as a postdoc with N. Scott Bobbitt in the Computational Materials & Data Science Division!
Paul will intern at Los Alamos National Lab!
as a PhD intern for Los Alamos National Lab, Paul Morris will use the Quick Urban & Industrial Complex (QUIC) Dispersion Modeling System to simulate the dispersion of chemical plumes in realistic, urban environments and use machine learning to create better wind and plume libraries. this work, combining Paul’s expertise in chemical engineering and machine learning, will be a pivotal component of his PhD thesis.
Faaiq will enroll in PhD program in Electrical Engineering at Georgia Tech
Faaiq Waqar is officially headed to Georgia Tech in the fall to pursue his PhD in Electrical Engineering! Huge congratulations, Faaiq! also Faaiq was awarded an NSF fellowship [see here].
Nick will intern at Sandia National Labs!
This fall, PhD student Nick Gantzler will work at Sandia National Labs with N. Scott Bobbitt as an intern in the Computational Materials & Data Science Division! Congrats, Nick!
(Ping & Adrian)’s bee toxicity paper on the cover of JCP and in Scilight
cover graphic artist (also PhD student in our group!): Paul Morris.
and see the APS Scilight article, “The buzz about machine learning and pesticide toxicity”, here.
Ping enrolls in Chemical Engineering PhD program at UMass Amherst
Ping Yang is officially headed to UMass Amherst in the fall to pursue his PhD in Chemical Engineering! Huge congratulations, Ping!
Ping led a project to build a machine learning model that classifies the toxicity of pesticides to honey bees, using random walk graph kernels and support vector machines. See here.
Chalkdust article on Squid Game
Cory, Adrian, Nick, and FX Coudert published a probabilistic analysis of the bridge game in the popular TV show Netflix, in Chalkdust Magazine. check it out here.
Melanie enrolls in Chemical Engineering PhD program at UC Berkeley, awarded an NSF GRFP
Melanie Huynh is officially headed to Berkeley in the fall to pursue her PhD in Chemical Engineering! And, she was awarded the NSF GRFP! Huge congratulations, Melanie!
Melanie led a project to develop a mathematical model of an adsorbed xenon storage tank for spacecraft propulsion, published in Materials Advances here. She also contributed to three other projects in the group, including (i) simulation of xenon and krypton ton adsorption in porous organic cages, (ii) summarizing the literature on computational studies to discover new MOFs for capturing chemical warfare agents, and (iii) developing a mathematical framework to curate MOFs for gas sensor arrays. See her Google Scholar profile.
PoreMatMod.jl selected as ACS Editors’ Choice
The article outlining our find-and-replace software for crystal structures, PoreMatMod.jl, was published in Journal of Chemical Information and Modeling here and selected to belong to the ACS Editors’ Choice collection here.
Melanie awarded as a future leader of chemical engineering
Melanie Huynh received the Future Leaders in Chemical Engineering award. She will present her Xe propellant storage paper at NC State. Congratulations, Melanie!
Melanie, CoMSEF Scholar at the University of Washington this summer
Melanie Huynh will do research at the University of Washington this summer, under the Computational Molecular Science & Engineering Forum (CoMSEF) Scholars REU (Research Experience for Undergraduates) program, in Prof. Jim Pfaendtner’s lab. congratulations, Melanie!
Jonathan will enroll in the Physics PhD program at the University of North Carolina (UNC) at Chapel Hill
Jonathan Carney is officially headed to Chapel Hill– in the Research Triangle– to pursue his PhD in Physics! Huge congratulations, Jonathan!
Co-advised by Prof. David Roundy, Jonathan worked on developing a statistical mechanical model of gas adsorption in a metal-organic framework harboring a rotaxane molecular shuttle in its pores. See his paper in Langmuir here.
Arthur will enroll in the Mathematical, Computational, and Systems Biology (MCSB) PhD program at UC Irvine
Arthur York is officially headed to Irvine in the fall to pursue his PhD in Mathematical, Computational, and Systems Biology! Huge congratulations, Arthur!
Arthur writes Julia code to carry out molecular simulations of gases adsorbed in nanoporous materials. See Arthur’s (first-theory-author) JACS paper and his blog post describing it. Also see his blog post on Buffon’s needle.
Mira will enroll in PhD program in Chemical Engineering at UC Berkeley
Mira Khare is officially headed to Berkeley in the fall to pursue her PhD in Chemical Engineering! Huge congratulations, Mira!
Mira started off working on convolutional neural networks to predict the transcription driving capacity of gene promoters. Later, she focused on simulating the adsorption of gas in metal-organic frameworks (MOFs) to predict their performance for methane storage and xenon/krypton separations.
Árni → Dr. Sturluson
huge congratulations to Dr. Árni Sturluson for earning a PhD in Chemical Engineering from Oregon State University, the first PhD student graduated from The Simon Ensemble! check out Arni’s publications here. we are proud of you, Árni, and we look forward to seeing your future accomplishments!
Mira selected for the Future Leaders in Chemical Engineering symposium!
Future Leaders in Chemical Engineering is a highly selective, national research symposium held at NC State University. Mira presented her research poster “Methane Adsorption Simulation Benchmarking in Metal Organic Frameworks”.
Melanie places first in paper competition at the PNW Regional AIChE conference and is awarded a national scholarship
Melanie Huynh took the first place prize for the paper competition at the PNW Regional AIChE conference! Her presentation was titled “Adsorbed xenon propellant storage: is adsorbent worth its weight?”. Also, Melanie was awarded the Othmer Senior National Scholarship from AIChE. Congratulations, Melanie!
Rachel will enroll in PhD program in Mathematical, Computational & Systems Biology at UC Irvine
Rachel Sousa was accepted to and offered full funding for the Mathematical, Computational & Systems Biology PhD program at the University of California, Irvine (link). Today, she accepted the offer. Congratulations, Rachel!
Rachel started off working on mathematical models of fairy circles and later focused on gas sensing. See her paper on framing gas sensing as an inverse problem here.
Arthur selected for the RISE Germany program
Arthur Henry York was selected for RISE (Research Internships in Science and Engineering) Germany! Congratulations, Arthur!
OSU News covers our sensor array paper
see here. Arni and Melanie made the cool sensor array image using Blender.
Arni, Melanie present at the national AIChE conference in Orlando
pics or it didn’t happen -unknown
Melanie wins AIChE award
Melanie was awarded the Donald F. Othmer Sophomore Academic Excellence Award from the American Institute of Chemical Engineers (AIChE). See here.
an article about Rachel in iMPACT
A very nice article about Rachel in iMPACT.
Kaggle Tweets our airline overbooking post
Kaggle, the world’s largest community of data scientists, Tweeted our blog post on the simulation of airline overbooking. This project was for the Summer Experience for Science and Engineering Youth (SESEY) program.
OSU News covers our eigencages paper
see here.