News
6/25/2025
Congratulations to Soubhik!
Soubhik's paper deriving analytic nuclear gradients for CAP complex potential energy surfaces has been published! Check it here. Congratulations!
4/8/2025
Congratulations to Dr. Alyssa Kranc!
Congratulations to Alyssa on excellent Ph.D. defense! Well-done!
4/4/2025
Congratulations to Dr. Soubhik Mondal!
Congratulations to Soubhik on excellent Ph.D. defense! Well-done!
3/19/2025
Congratulations to Simon!
Congratulations to Simon on successfully passing the qualifying exam! Well done!
1/21/2025
Welcome!
A warm welcome to our newest group member, Elijah! Elijah will be working on reduced-cost methods for simulating redox potentials in biological systems. Welcome to the group!
7/24/2024
Congratulations to Soubhik!
Soubhik's paper on simulating virbational excitation upon electron impact in N2 has been published! Check it here. Congratulaions!
1/2/2024
Welcome!
A big welcome to our newest lab member, Simon! Simon is a first year graduate student in chemistry who will be working on metastable states.
08/30/2023
Soubhik Recieves the Director's Award for Excellence
Congratulations to Soubhik on receiving the 2023 Director's Award for Excellence!
08/10/2023
Luke Presents at REU Poster Session
Congratulations to Luke on an excellent REU poster session and research talk. Best of luck with your senior year!
08/04/2023
Soubhik Travels to POSMOL
Congratulations to Soubhik on an excellent talk and poster presentation on his research on nuclear dynamics and metastable electronic states at POSMOL 2023, hosted at the University of Notre Dame in Notre Dame, IN.
06/22/2023
Congratulations, Dr. Burrows!
Congratulations to Melissa on an excellent defense!
04/14/2023
Alyssa Travels to ERPC
Congratulations to Alyssa on an excellent poster on eMap at the Eastern Regional Photosynthesis Conference 2023, hosted at the Marine Biology Laboratory in Woods Hole, MA.
11/28/2022
Congratulations, Dr. Gayvert!
Congratulations to James on an excellent work and defense! It was great to see you in person!
10/06/2022
Melissa is a recipient of the Director Award for Excellence!
Congratulations to Melissa on receiving the 2022 Director Award for Excellence!
07/26/2022
Voronoi CAP paper is out!
Voronoi CAP-EOM-CCSD paper has been published in JPCA! Congratulations, James!
06/06/2022
Melissa receives the Outstanding Teaching Fellow Award!
Congratulations to Melissa on receiving the 2021/2022 BU Chemistry Outstanding Teaching Fellow Award! So well deserved!
03/07/2022
Projected CAP paper is out!
Projected CAP paper has been published in JCP. Congratulations, James!
02/02/2022
eMap 2.0 has been released!
eMap 2.0 is now up and running! Great work everyone!
12/03/2021
Congratulations, Dr. Karnaukh!
Congratulations on an excellent defense to Lizzy!
09/10/2021
Lizzy is a recipient of 2020/2021 Feldman award!
Congratulations to Lizzy on receiving Feldman award! Well deserved!
05/13/2021
NeCcP paper has been accepted for publication!
Lizzy's paper on redox potentials of NeCcP has been accpted to PCCP! Congrats!
03/18/2021
Alyssa and Soubhik passed qualifying exam!
Congratulations to Alyssa and Soubhik on successfully passing the qualifying exam! Well done!
08/21/2020
OpenCAP is out!!!
OpenCAP 1.0 has been released, congratulations to James! https://github.com/gayverjr/opencap
05/21/2020
Congratulations to James!!!
James has been selected a MolSSI Investment software fellow! Congratulations, very well deserved! https://molssi.org/2020b-investment-software-fellows/
12/4/2019
Congratulations, Dr. Tazhigulov!!!
Congratulations to Ruslan on an excellent defense!