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Current & former group members are listed here
Jochen Autschbach
Department of Chemistry
732 Natural Sciences Complex
State University of New York at Buffalo
Buffalo, NY 14260-3000, USA
Tel.: +01-716-645-4122
Fax: +01-716-645-6963
email: jochena (at) buffalo.edu
Interested in publications and citation metrics? See our publications page, Google Scholar and/or ResearcherID / Web of Science
Please click one of the book cover images above for information regarding Jochen’s textbook Quantum Theory for Chemical Applications (QTCA) or information regarding Molecular Orbitals, a primer on—guess what?—created by Pierpaolo Morgante and Jochen Autschbach. An errata sheet for QTCA and supplementary material for both books can also be downloaded from these web pages.
For group members:
Computing Cluster Information
We are always interested in recruiting talented graduate students into our computational chemistry research program. If you are considering to apply for the graduate program in our Department and you are interested in computational or theoretical chemistry feel free to contact me or my colleagues Dr. Eva Zurek, Dr. Alexey Akimov, or Dr. Hung Nguyen for further information.
Please email your resume to me (Jochen) if you are interested in a postdoc position and your skill set matches our research portfolio. Open positions become available from time to time. Unfortunately, this needs to to mentioned: Unsolicited job applications from individuals who do not seem to know what our research areas are (e.g., someone applying for a position in synthetic chemistry or experimental characterization of materials) will be considered as Spam and likely not receive a reply. Relevant applications always get a reply, even if there is no open position at the moment. If you are unsure, please check our research description.
Visiting graduate students and senior visiting researchers are very welcome. It helps if you have a stipend / scholarship to support the visit.
Internships: (i) Availability of funding permitting, we may have offer summer research positions to undergraduate students available for US citizens or permanent residents who had prior training in computational chemistry, or scientific programming experience. (ii) We are unfortunately not able to offer internships to foreign nationals unless they are able to support the visit financially and have a completed undergraduate degree in chemistry or a related field.
Welcome to Dr. Soumya Dash, who joined the group in April 2025
Congratulations to Dr. Asmita Sen, who has moved to Trinity College,
Dublin to pursue new new research topics with support from a Maria
Skłodowska Curie EU postdoctoral fellowship (Apr. 2025)
Our study of berkelocene, jointly conducted
at Lawrence Berkeley National Laboratory (synthesis and experimental
characterization) and UB (theory & computations) is finally out! See
https://www.science.org/doi/10.1126/science.adr3346. Congratulations
to Dumitru-Claudiu Sergentu, a former postdoc in our group, who
performed the calculations for the published article. (Feb. 2025)
Welcome to Dr. Kurtis Stanistreet-Welsh, who joined the group in
February 2025
Welcome to Dr. Saurav Parmar, who joined the group in February 2024
Welcome to Augusta Kramer and Dong Le, who joined the group as
graduate students in November 2023
Welcome to Dr. Asmita Sen, who joined the group in October 2023
Congratulations to Dr. Ashima Bajaj, who received a ‘Maria Skłodowska
Curie’ EU postdoctoral fellowship and relocated to Belgium. Best wishes
for the future (10/23)
Congratulations to Dr. Herbert Ludowieg for the successful defense of his
PhD thesis (05/23)
Welcome to Dr. Aleksandr Zaichenko, who joined the group in April 2023
Welcome to Dr. Ashima Bajaj, who joined the group in February 2023
Congratulations to Jochen for his promotion to SUNY Distinguished
Professor, the highest academic rank in the State University of New York
(SUNY) system (01/23)
Welcome to Leonardo Schenberg, a PhD student from Sao Paulo, Brazil,
who is visiting us from 01/2023 to 01/2024
Congratulations to Jochen, who has been appointed as an Associate
Editor of Inorganic Chemistry (American Chemical Society) starting
01/23
Welcome to Augustine Obeng, who joined the group as a graduate student
in November 2022
Best wishes to Dr. Alberto Fernández Alarcón, who started a researcher
position in Spain (10/22)
Congratulations to Dr. Laura Motta, who accepted a tenure-track
position in the Marine Chemistry & Geochemistry Department at Woods
Hole Oceanographic Institution (09/22)
Welcome to Maxime Grasser, a PhD student who is visiting us from the
University of Rennes, France, from 08/22 to 12/22
Best wishes to Dr. Soumitra Manna who returned to India (05/22)
Best wishes to Dr. Claudiu Sergentu, who returned to Europe to start an
academic position and a Marie Curie Fellowship (12/21)
Welcome Dr. Alberto Fernández Alarcón, who joined the group in
November 2021
Welcome to Dr. Soumitra Manna, who joined the group in September
2021
Congratulations to Farnoush Nourigheimasi for receiving her MSc degree,
and best wishes for the future (07/21)
Congratulations to Adam Philips for a successful defense of his PhD thesis
(05/21)
Welcome to Dr. Pierpaolo Morgante, who joined the group in May 2021
Best wishes to Dr. Laura Abella who returned to Universitat Rovira i
Virgili with a prestigious Juan de la Cierva fellowship (05/21)
The Python code for Adam’s calculations of quadrupolar NMR relaxation
rates is now available on GitHub (04/21)
Welcome to Dr. Laura Motta, who joined the group in February 2021
Jochen’s textbook is published! Yay! (01/21)
Welcome to Viswa Phani Srinivas Marthi, who joined the group as a
graduate student (01/21)
Congratulations to Claudiu, Eva,
Jochen, and Thomas Albrecht-Schönzart and his team at Florida State
University, for our ’Curium compounds under high pressure’ study that was
just published in Nature (07/20). See https://rdcu.be/b5Dq3 and UB’s
press release https://www.buffalo.edu/news/releases/2020/07/011.html
Best wishes to Dr. Gaurab Ganguly, who moved to Prague to continue
his scientific training with Prof. Michl (07/20)
Congratulations to Jochen for receiving the 2019 Schöllkopf Medal from
the Western New York section of the American Chemical Society (09/19).
Thanks to all who attended the award dinner, and special thanks to all
who wrote a letter for the occasion.
Congratulations to Jochen for being named a University at Buffalo (UB)
Distinguished Professor (07/19)
Congratulations to Dr. Tom Duignan for the successful defense of his
PhD thesis (05/19)
Congratulations to Jochen who has been appointed as John D. & Frances
H. Larkin Foundation Chair in Chemistry (02/19)
Welcome to Farnoush Nourigheimasi and Herbert Ludowieg. Both started
in November 2018 as graduate students in our group
Welcome to Dr. Xiaojuan Yu who joined the team in September 2018
Welcome to Drs. Laura Abella and Gaurab Ganguly, who joined the team
in August 2018
Congratulations to Dr. Alex Marchenko for the successful defense of his
PhD thesis (06/18)
Best wishes to Jeremy Marchais, a Master’s student from Bordeaux,
France, who returned home after visiting us for several months (07/18)
Congratulations to Alex Marchenko for receiving the University at Buffalo
Excellence in Teaching Award for Graduate Teaching Assistants (04/18)
Congratulations to Jochen for receiving the SUNY Chancellor’s Award for
Excellence in Scholarship and Creative Activities (04/18)
Best wishes to Dr. Arun Pal and Zhubin Hu who returned to their
respective home countries after productive visits to UB (02/18)
Best wishes to Dr. Frederic Gendron who is returning to France to
continue his scientific career (09/17)
Congratulations to Alex Marchenko for receiving the Department’s
Mattern-Tyler graduate student teaching award (08/17) and the
September 2017 Graduate Student Research Highlight
Welcome to graduate student Zhubin Hu who is visiting us from Shanghai
for six months (08/17)
Congratulations to Jochen: His ‘h’ reached 50 before his age did (Web of
Science, 07/17)
Congratulations to Dr. Barry Moore II for receiving the 2016 Best PhD
Dissertation Award from the UB Chemistry Department (04/17)
Wecome to our new group members Dr. Claudiu Sergentu and Dr. Arun
Pal (02/17)
Best wishes to Dr. Lucas Ducati who returned to Brazil after a two-year
visit here (01/17)
Best wishes to Renan Viesser who returned to Brazil to complete his PhD
after a one-year visit here (12/16)
Welcome to our new group member Dr. Yonaton Heit (09/16)
Congratulations to Dr. Barry Moore II for defending his PhD thesis
successfully, and for landing a job at U. of Pittsburgh (05/16)
Best wishes to Bob Martin who finished his MSc degree (05/16)
Welcome to Renan Viesser, a visiting graduate student from Campinas,
Brazil (11/15)
Best wishes to Dr. Kamal Sharkas who is leaving for a postdoc position
at U. Minnessota (10/15)
Welcome to Prof. Yusif Abdullayev who is visiting us from Azerbaijan as
a Fulbright scholar (09/15)
Congratulations to Dr. Sutter Kip for successfully defending his thesis
(08/15)
Welcome to Prof. Lucas Ducati from Sao Paulo, Brazil, who is visiting
us in 2015/16, following a short visit in the summer of 2014 (02/15)
Welcome to Adam Philips who joined the group as a graduate student
(11/14)
Best wishes to Haitao Sun who returned to Shanghai to complete his PhD
after an 18 month visit here (03/14)
Best wishes to Dr. Ben Pritchard who became a postdoc at Virginia
Tech. (02/14)
Welcome to our new group members: Tom Duignan, Alex Marchenko,
and Dr. Kamal Sharkas (01/14)
Congratulations to Dr. Ben Pritchard for defending his PhD thesis
successfully (12/13)
Congratulations to Dr. Mark Rudolph for defending his PhD thesis
successfully (08/12)
Congratulations to Dr. Shyam Badu for becoming a landed immigrant in
Canada (07/12)
Welcome to our new group members, Dr. Shyam Badu (2012), Bob
Martin (2012), Haitao Sun (2012), Dr. Frederic Gendron (2012)
Congratulations to Dr. Monika Srebro for successfully completing her
research project funded by the Polish government (late 2012)
A belated welcome and best wishes/goodbye to Dr. Prakash Verma who
had joined us for about a year to work develop code in NWChem for EPR
calculations with DFT and variational spin-orbit coupling (02/13)
Congratulations to Dr. Lionel Truflandier for his faculty position at the
University of Bordeaux I (2012)
Best wishes to Lucia Nitsch-Velasquez who finished her MSc degree
(2010)
Congratuations to Jochen for his promotion to Full Professor (08/09)
Congratulations to Dr. Shaohui Zheng for defending his PhD successfully
(03/09)
Congratulations to Dr. Matt Kundrat for defending his PhD thesis
successfully (08/08)
Jochen received the UB Exceptional Scholar - Young Investigator Award
in August 2007, tenure effective Fall 2007, and a promotion to Associate
Professor (08/07)
Congratulations to Dr. Brendan Mort for defending his PhD thesis
successfully (08/07)
Jochen gave a keynote lecture at the 37th ICCC in Cape Town in 08/2006.
Besides discussing exciting scientific matters there was a lot of interesting
marine life to watch, but also the dreadful prison on Robben island
Older News, from 2003 – 2006, were lost when the web site was
re-designed ca. 2012 with tex4ht. Notable News during that period
were that Jochen started as an Assistant Professor at UB in August
2003, Brendan Mort joined the group in 2003 and received a National
Defense Science and Engineering Graduate (NDSEG) Fellowship in 2004,
Shaohui Zheng and Matt Kundrat both joined the group as graduate
students in 2004, and Jochen received an NSF CAREER grant effective
May 2005. Older versions of Jochen’s homepage can be dug up on the
Internet Archive, for example the web pages at the University of Calgary
(1999–2002) and University of Erlangen (2002–2003), albeit without the
image galleries. Jochen may have had a homepage when he was at the
University of Siegen, Germany, before October 1999, but this was still in
the dark ages (Web 1.0) and is probably best forgotten...
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© 2011 – 2025 J. Autschbach.