porous cage molecule The Simon Ensemble research group in the School of Chemical, Biological, and Environmental Engineering at Oregon State University


I get the news I need on the weather report. - Simon (a different one) & Garfunkel

This page is dedicated to bragging about the accomplishments of students in our research ensemble!

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.


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 $\mapsto$ 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

arni at aiche arni at aiche

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.