The Simpson Research Group

11/19/2024

Kate Merkel's paper titled "Trigonal bipyramidal or square planar? Density functional theory calculations of iron bis(dithiolene) N-heterocyclic carbene complexes" is published in Dalton Transactions:

https://pubs.rsc.org/en/content/articlelanding/2024/dt/d4dt02650k/unauth

9/27/2024

Scott travels to Amsterdam, NL to give a talk at CBOND 2024.

7/16/2024

Dr. Devin Mulvey joints the group!

7/1/2024

Dr. Santos has got a job at Virgina Tech! Good luck Alyssa!

3/12/2024

Scott and Alyssa attend the 2024 LOBSTER School at Aalto University in Finland. It was a great time learning more about COHPs and COBIs.

8/1/2023

Dr. Simpson is awarded the Henry Dreyfus Teacher-Scholar Award!

Here is another link to the announcement.

8/1/2023

Dr. Alyssa Santos joins the Simpson Research Group!

7/28/2023

Dr. Matt Hanson moves on to his position at Le Moyne College! Good Luck Matt!

8/15/2022

Dr. Matt Hanson joins the Simpson Research Group!

4/6/2022

Dr. Simpson has been awarded St. Bonaventure University's 2022 Research and Publication Excellence Award.

1/28/2022

Dr. Simpson has been awarded the prestigious NSF CAREER Award for his proposal titled "Investigating the Molecular Corking Effect for Potential Hydrogen Storage".  This grant totals $544,892.00 and provides funds for more computing servers, salaries for undergraduate researchers, and salaries for a postdoctoral scholar.  More information can be found here.

10/19/2021

Presented by the School of Arts and Sciences at St. Bonaventure in collaboration with the university’s Regina A. Quick Center for the Arts, this program begins with a showing of the film "Dark Waters" in the Quick Center’s Rigas Family Theater at 4:30 p.m., followed by a half-hour discussion by a panel of scientific and legal experts.   Dr. Simpson, Robert Bilott, and other were joined on stage for a panel discussion about PFAS.  More information can be found here.

8/6/2021

Dr. Simpson was awarded a Honorable Mention for the best talk at the 2021 Eastern US YCC Virtual Research Symposium.

5/28/2021

Dr. Simpson had an article about N-heterocyclic carbenes (NHCs) adsorbed to single atom alloys (SAAs) published.

7/24/2020

Jon's and Paul's article is published in the Journal of Hazardous Materials.

7/24/2020

Prof. Scott Simpson is interviewed by Elizabeth Stivison for a piece in ASBMB Today.

4/30/2020

Spencer Carbone presents at the ACS Spring 2020 National Meeting & Expo online due to COVID-19.

2/28/2020

Alex Izydorczak's paper titled "Accurate Prediction of Gas Chromatographic Retention Times via Density Functional Theory Calculations: A Case Study Using Brominated Flame Retardants" is published in ChemistrySelect. onlinelibrary.wiley.com/doi/abs/10.1002/slct.201904878

6/17/2019

The Simpson group receives notice that their proposal "Collaborative Research: Fundamental Studies on the Environmental Fate of Short-Chain and Emerging Fluorinated Alkyl Substances Using Mass-Spectrometry and Molecular Modelling" has been funded by the NSF for a total of $119,373.  This research is a collaborative effort between the Simpson group and Dr. Diana Aga's group at the University at Buffalo.

3/26/2019

Scott Simpson receives St. Bonaventure University's Junior Faculty Excellence Award for 2019.

3/15/2019

Our educational paper "Investigating the Clough, Lutz, and Jirgensons Rule for the pH Dependence of Optical Rotation of Amino Acids " is featured in the Vernier Catalog! https://www.vernier.com/news/category/featured-in-science-journals/

8/19/2018

Alex presents her poster titled "Prediction of Polybrominated Diphenyl Ether Retention Times via Ab Initio Calculations" at the ACS National Meeting in Boston.

5/22/2018

The Simpson Research Group has been awarded a research grant from the American Chemical Society’s Petroleum Research Fund (ACS PRF) for their grant titled “Using Density Functional Theory to Predict Heterogeneous Catalysts for the Selective Formation of cis-2-butene from 1,2-butadiene”.  

5/8/2018

The Simpson Research Group was awarded a Keenan-Martine Grant for "Quantum Chemical Exercises for Current and Potential SBU Students".  This grant provides some funding for new hardware and software.

4/28/2018

Alex presents her poster titled "Prediction of Polybrominated Diphenyl Ether Retention Times via Ab Initio Calculations" at the WNY ACS Undergraduate Research Symposium.