News - iOpenShell

News

Our weekly Blitz meetings are held on Mondays, 9:00-10:00 am Pacific, via Zoom. Connect through this link. Our group seminar is on Wednesdays, noon, in a hybrid mode (SSC 604 and Zoom). Connect through this link. See schedule here.
Congratulations to Dr. Goran Giudetti on defending his Ph.D. thesis! Goran now holds two doctorates -- one from USC and one from University of Groningen.
Warm welcome to Carson Baker, Victoria Nazarova, Harsh Aryan Jalan, and Nikita Chernyshov, who officially joined the group. Great deeds await!
Congratulations to Goran Giudetti on securing research appointment at ViVidion Therapeutics in San Diego.
Congratulations to Pawel Wojcik on securing postdoctoral appointment at the Florida State University in Eugene DePrince group and recieving FSU Quantum Postdoctoral Fellowship.
Warm welcome to our new group members: Dr. Arnab Chakraborty and Dr. Tingting Zhao.
Warm farewell and all the best to Dr. Yongbin Kim, who is leaving the group to start his new job in Kestrel therapeutics, a Boston-based biotech start-up. Great deeds await!
Congratulations to Madhubani Mukherjee for recieving Excellence in Graduate Student Research Award and to Jia Hao Soh for recieving Curt Wittig Research Excellence Award at 2024 Stauffer Symposium.
Congratulations to Dr. Goran Giudetti for defending his Ph.D. thesis at the University of Groningen. Now on to the USC defense!
Congratulations to George B. Pipim for passing his qual. exam.
Warm welcome to Jia Hao Soh who has officially joined the group. Great deeds await, Jia!
Congratulations Dr. Sourav Dey on successful defense of his Ph.D. thesis.
Congratulations to Dr. Sarai Folkestad for accepting Assistant Professorship at the Norwegian University of Science and Technology in Trondheim. Professor Folkestad will start her new job in September 2023. Great deeds await!
Group outing on Sunday was a great fun -- and noone went missing at sea! Enjoy pictures from the trip.
Congratulations to our 2023 PhDs: Dr. Ronit Sarangi and Dr. Saikiran Kotaru.
Alimni news: Congratulations to Shirin Faraji on being promoted to the rank of Full Professor at the University of Groningen.
Congratulations to Pawel Wojcik on recieving Dulligan's Award and to Nayanthara Jayadev on recieving poster award at the Stauffer Symposium!
Dr. Kaushik Nanda has accepted an offer to join Q-Chem as a software scientist. Kaushik will start his new job in June. Congratulations, Kaushik!
What do cats and chemistry have in common? Read this essay to find out. Can you pass the quiz question in the abstract?
Congratulations to Dr. Yongbin Kim for recieving a postdoctoal award at the Sanibel Symposium. So well deserved, Yongbin!
Alimni news: Congratulations to Thomas Jagau on being awarded the Dirac medal from WATOC.
Congratulations to Madhubani Mukherjee on passing the qualifying exam.
Alumni news: Dr. Marc de Wergifosse has accepted an offer to join UCLouvain in Belgium as an Assistant Professor. Marc will start his new job in September 2022. Congratulations, Marc!
Alumni news: Dr. Atanu Acharya will be joining Syracuse University as an Assistant Professor this fall. Congratulations, Atanu!
Congratulations to Dr. Maristella Alessio for recieving prestigious Marie-Curie Fellowship to fund her future work at KU Leuven.
Congratulations to Madhubani Mukherjee on recieving poster award at the Stauffer Symposium!
Congratulations to Goran Giudetti on passing the qualifying exam.
Congratulations to Pawel Wojcik on passing the qualifying exam.
Congratulations to our 2021 PhDs: Dr. Sahil Gulania and Dr. Tirthendu Sen.
Congratulations to Sourav Dey on passing the qualifying exam.
Sahil Gulania was selected as a recipient of the 2021 Kenneth Nobutoshi Wachi Award from the Department of Chemistry for his outstanding Ph.D. research and service. Congratulations, Sahil!
Warm welcome to Nayanthara Karippara Jayadev who has officially joined the group. Great deeds await, Nayanthara!
Congratulations to Ronit Sarangi on passing the qualifying exam. Well done, Ronit!
Congratulations to Saikiran Kotaru on passing the qualifying exam. Great job, Sai!
Dr. Wojciech Skomorowski was awarded prestigious "Polish Returns" fellowship to support his independent research at the University of Warsaw. Congratulations and the best of luck!
Our collaborative work with Prof. Linda Young on RIXS of aqueous OH radical is highlighted on SLAC website.
Alumni news: Prof. Ksenia Bravaya has been promoted to the rank of Associate Professor with tenure. Congratulations, Ksenia!
Pavel Pokhilko was selected as a recipient of 2020 Michael Wormit Award recognizing excellence in the development of new methods and algorithms in the area of electronic structure and implementing these methods in state-of-the art computer codes within the Q-Chem open-teamware community project. Congratulations!
Pavel Pokhilko recieved CAMS Honorable Mention (and a check) recognizing excellence in research with a substantial mathematical component. Congratulations!
Watch ACS Live Slides, presented by Maxim Ivanov, describing our recent work on Rydberg diradicals.
Congratulations to Dr. Pavel Pokhilko on the successful defense of the Ph.D. thesis, conducted via Zoom.
Watch ACS Live Slides, presented by Maxim Ivanov, describing our recent work on novel molecular motifs for QIS.
Alumni news: Prof. Ksenia Bravaya has recieved prestigious Sloan Fellowship - congratulations!
We cordially welcome new group members: Goran Giudetti, Pawel Wojcik, and Madhubani Mukherjee. Great deeds await!
Alumni news: Thomas Jagau's got ANOTHER award -- Ernst Haage Prize! Wow!!!
Alumni news: Prof. Shirin Faraji was inducted into the Young Academy Groningen. Make sure to watch Shirin's one-minute video!
Alumni news: Congratulations to Thomas Jagau for landing the ERC starting grant and recieving the Hellman Award - all within one month! Well done indeed.
Watch ACS Live Slides, presented by Pavel Pokhilko, describing our recent work on extending the concept of natural transition orbitals to the analysis of tensor spin properties (spin-orbit couplings).
We are delighted to welcome two new group members, Ronit Sarangi and Sourav Dey. Great deads await!
Congratulations to Tirthendu Sen on passing the qualifying exam. Great job, Tirthendu!
Congratulations to Sahil Gulania on his excellent performance on the qualifying exam!
Watch ACS Live Slides, presented by Wojciech Skomorowski, describing our recent work on extending the concept of natural transition orbitals to complex-valued wave-functions within non-Hermitian Quantum Mechanics formalism.
Pavel Pokhilko was recognized by the Michael Dulligan Award. Well deserved, Pavel, congratulations!
Congratulations and warm farewell to Dr. Ilya Kaliman, who will be joining Q-Chem, Inc in May. Great deeds await, Ilya!
Congratulations to Dr. Natalie Orms on her Ph.D. defense! Well done, Natalie!
Congratulations to Pavel Pokhilko on his excellent performance on the qualifying exam! Forward to Ph.D.!
Watch Telluride Town Talk "Molecules and light: The story of life, death, and our quest for knowledge" given by Anna Krylov on August 1st.
Watch ACS Live Slides, presented by Kaushik Nanda, describing our recent work on extending the concept of natural transition orbitals to two-photon transitions.
Congratulations to Dr. Samer Gozem, who will be joining the faculty at Georgia State University this Fall. Good luck with your independent career, Samer!
Dr. Kaushik Nanda has recieved the Arthur Adamson Postdoctoral Recognition Award. Well done, Kaushik!
Congratulations to Dr. Anastasia Gunina on the outsanding defense of her thesis!
Dr. Shirin Faraji has accepted Associate Professor Position at the University of Gronigen, Netherlands. She will begin her new job in March, 2017. Congratulations!
Congratulations to Dr. Atanu Acharya and Dr. Xintian Feng on the successful defense of their theses. Well done!
Great news for the computational chemistry community: MolSSI Institute has been launched. We are proud to be a part of it!
Watch out Atanu's LiveSlides summarizing our work on electron transfer in fluorescent proteins.
Happy end-of-semester to everyone! Important milestones from Spring 2016: Atanu Acharya has recieved Dissertation Completion Fellowship; Natalie Orms and Arman Sadybekov passed their qualifying exams and are now Ph.D. bound. Congratulations!
Congratulations to Atanu Acharya for recieveing predoctoral fellowship from USC!
Check out Samer's Live Slides, presented by Samer Gozem, summarizing our recent work on photoelectron cross sections.
Check out our ViewPoint paper What Is the Price of Open-Source Software?
April 16 was a great day for theory - our group collected SEVEN awards at the Staufer festivities! Congratulations to: Natalie Orms on receiving best 115 TA award, Anastasia Gunina on receiving best poster award, Xintian Feng on receiving Prakash graduate research award, Atanu Acharya on receiving Dulligan graduate research award, and Thomas Jagau on receiving Arthur Adamson posdoctoral recogntion award. In addition, Samer Gozem and Shirin Faraji were recognized as the recipients of the Burg postdoctoral teaching fellowships. Well done, everyone!
Congratulations to Natalie Orms on receiving honorable mention from NSF in this year’s Graduate Research Fellowship competition.
Alumni news: Lucas Koziol will be soon joining Exxon Mobil, to conduct computational research on new fuels. Well done, Lucas!
Congratulations to Dr. Dima Zuev on his excellent defense!
Belated congratulations to Dima Zuev for landing a cool job! Dima will be joining Bloomberg L.P. this summer. Good luck!!!
Congratulations to Atanu Acharya, Anastasia Gunina, and Xintian Feng on passing their qualifying exams!
Three first-year students, Arman Sadybekov, Natalie Orms, and Bailey Qin have officially joined our group! Great deeds await!
Warm welcome to our new member, Dr. Ilya Kaliman.
Warm welcome to our new member, Dr. Samer Gozem.
Thanks everyone for making our group party and hike such a success!
Warm welcome to our new member, Dr. Kaushik Nanda.
Women in Theory webpage is out!
Warm welcome to our new member, Dr. Thomas Jagau.
Alumni news: Congratulations to Prof. Lyudmila Slipchenko on her early promotion to Associate Professor with Tenure.
Belated congratulations to Dr. Kirill Khistyaev on his defense. Well done!
Belated congratulations to our group members recognized by the awards at the Stauffer Symposium: Anastasia Gunina (Best TA), Dima Zuev (Dulligan Award), and Kirill Khistyaev (Strouchkoff Award).
Dr. Ksenia Bravaya will be joining Department of Chemistry of Boston University as an Assistant Professor this summer. Ksenia, good luck! We're so proud!
Congratulations to Kirill Khistyaev who has landed a cool job several months before the graduation. Kirill will work as Financial Software Developer in in the RD department of Bloomberg L.P. Atta boy!
IQmol 2.1 is OUT! New feature: remote submission of Q-Chem jobs. Update now!!!
Nadia Korovina and Evgeny Epifanovsky won poster awards at ICQC! Congratulations!!! Two out of eight for our group - way beyond cool.
Congratulations to Adele Laurent on landing an independent position (Charge de Recherche 2) in the CEISAM laboratory at the University of Nantes. The competition was super-stiff, but Adele was unstoppable. Fight on, gal!
Thanks to all making the hike, the party, and the eclipse such a great fun! Here are some pictures
Congratulations to our newlyweds, Zhenya and Laura.
Our paper on proton transfer in pi-stacked systems has been featured in Science News, Dornsife News , and LBNL press release.
Alumni news: Arik will be starting a new job as a director of a computational laboratory at Technion this Fall. Congrats!
Congratulations and good luck to Debashree who will be starting an independent position (Scientist Gr IV(3) or Scientist E1) in the National Chemical Laboratory at Pune, India, this summer. Well done indeed!
Warmest welcome to the first year students joining the group, Atanu, Subodh, Anastasia, Xintin, and Alexander! Great deeds await!!!
Prof. Lee Woodcock will deliver two tutorial lectures about QM/MM and CHARMM on Tue (12/6) and Thu (12/8), in SSC 604. Bring your laptops! Resources and preliminary reading: CHARMM tutorial, a nice overview of QM/MM concepts; an older review from the same author; more detailed in-depth review by Thiel; Truhlar's review.
Vote for our film "Shine A Light" to help us win the final round of the NSF visualization competition. We have made it to top 10!
Congratulations and good luck to Eugene who will be starting his new position at the Combustion Research Facility at Sandia National Lab this September!
Alumni news: Lucas has joined Lawrence Livermore National Laboratory as a posdoc. He will be working in the Life Sciences Directorate. Congrats!
Yaaay! We have a group calendar - now no one will miss a party!
Congratulations to Dr. Eugene Kamarchik on Adamson Postdoctoral Merit Award.
Yves has won the the "Director’s Prize" for the best Ph. D. thesis in the Research School of Chemistry (Australian National University) in 2010 - WOW!!! Congratulations!
Congratulations to Ksenia on the ACS PHYS postdoctoral recognition award!
Dr. Debashree Ghosh has won a prestigious WiSE postdoctoral recognition award - to pair with the Burg postdoctoral award she has received earlier this year - congratulations!!!
Congratulations to Dr. Evgeny Epifanovsky on his spectacular defense!
Alumni news: Dr. Piotr Pieniazek is joining Eli Lilly. From benzene dimer cation to big pharma -- atta boy!
Dima Zuev just passed his screening exam: congratulations!
Warm welcome to our new group members: Dr. Adele Laurent and Dr. Yves Bernard.
Congratulations to Kirill Khistyaev on his excellent performance on the qualifying exam. Now full speed forward to the Ph.D. defense!
Alumni news: Anna Zadorozhnaya (Golubeva) has landed her first job with big finance -- Renaissance Capital investment bank at the risk management department. Anna, we are so proud of you!
Warm welcome to Masha, Nastia, and Nadia!
Congratulations to Ksenia for winning best poster award (sponsored by PCCP) at the Polar-2010 conference.
Check out the pictures from our group outing in Mammoth Lakes. Thanks to all for the great time!
Check out hooding pictures. These costumes are quite something, I look like a witch!
Congratulations to our group members recognized at the Stauffer banquet: Evgeny Epifanovsky on receiving Michael Dulligan graduate research award; Kirill Khistyaev on receiving outstanding general chemistry TA award; Dr. Ksenia Bravaya on receiving Anton Burg postdoctoral teaching award. Check out the pictures.
Good news: Ilya's got safely back to Moscow after his a little too exciting epic United 964 flight via Azores.
Zhenya's paper on oxidized states of GFP has been selected as Research Highlight on the J. Chem. Phys. website -- congratulations!
Congratulations to Ksenia on receiving WiSE Postdoctoral Merit Award (USC) - atta girl!
Dr. Mozhayskiy, congratulations! Well done indeed, we're proud of you!
Warmest welcome to our newest group member, Dima Zuev. Dima, great deeds await!
Congratulations to Dr. Anna Golubeva (Zadorozhnaya) on her Ph.D. defense! Anna, good luck with your new endeavors!
Melania will be joining the Combustion Research Facility at Sandia National Lab -- congratulations and good luck with the new adventure!
Popcorn time -- Laser is out! Watch and share.
The trailer for "Laser" is out, stay tuned!
Stas has made it -- congratulations!
Our movie was viewed more that 10,000 times during the first month since the release -- wow!
Our movie is out: "Shine A Light" -- enjoy and share! Don't miss the trailer. Like it? Vote it up on Digg.
Our annual hike was a great success - thanks to everyone! I am pleased that our outdoor skills are getting better -- no one was lost this time.
Lucas is now Dr. Koziol (and so is our governor): Congratulations to both!
Prashant Manohar has accepted the offer to join the faculty of the Birla Institute of Technology and Science in Pilani, India. Well done, Prashant!
Congratulations to Vadim Mozhayskiy who won Michael Dulligan graduate research award!
Check out Western Spectroscopy Association Conference and University of Maryland Symposium posters using our images.
Congratulations to Dr. Vitalii Vanovschi on his successful Ph.D. defense. Vitalii, well done and good luck at your new job with Google.
Congratulations to Anna Golubeva on her excellent performance on the qualifying exam!
Many thanks to all the participants of our annual iOpenShell meeting.
Thanks to all the participants of our annual group outing and the hike to San Jacinto peak via Marion Mountain trail. Special thanks to Riverside Mountain Rescue Unit for rescuing Prashant, who get stranded after summiting the 10,860 ft tall mountain. Consider supporting RMRU by a tax deductible donation and remember to always carry 10 essentials!
Our work on triazine is highlighted in Science, in the USC news release, and in LiveScience.
Congratulations to Piotr on his spectacular Ph. D. defense. Right on, Dr. Pieniazek!
Congratulations to Vadim Mozhayskiy on the travel award from the College of Letters, Arts, and Sciences to attend the WATOC-08 meeting in Australia. Careful with these Roos, Vadim.
Congratulations to Lucas Koziol who won the prestigious final year fellowship from the College of Letters, Arts, and Sciences.
Vadim Mozhayskiy won the best poster award at the Stauffer posters extravaganza. Triazine rulez!
Congratulations to Vitalii Vanovschi who won the prestigious Stauffer Fellowship.
Piotr Pieniazek will join Jim Skinner's group at University of Wisconsin at Madison in the Fall of 2008. Warm clothes donations are welcome!
Alumni news: Sergey Levchenko has accepted the offer to join the Fritz-Haber Institute of Max Planck Society as a senior postdoc September 2008. Congratulations!
Alumni news: Lyuda Slipchenko has accepted the offer to join Purdue University at West Lafayette as an Assistant Professor of Chemistry starting September 2008. Congratulations!