News

Recent News / Future Events

  • JANUARY 18, 2017: JAK gave an invited seminar at Bowling Green State University in the Chemistry Department
  • FEBRUARY 3, 2017: JAK gave an invited seminar at Carnegie Mellon University in the Department of Materials Science and Engineering
  • APRIL, 2017: JAK will be co-organizing a symposium on "State-of-the-Art Methods for Modeling Materials Chemistry” in the COMP division at the 253rd ACS National Meeting in San Francisco.  
  • AUGUST 17-19: JAK will be an invited speaker at the Penn Conference on Theoretical Chemistry. The theme of the conference is “Interfacial Electrochemistry"

News: 2016

  • OCTOBER, 2016: Mitch’s oral presentation takes first place in the PITT ChemE Research Day.  Way to go Mitch!
  • OCTOBER, 2016: Karthi gets his second first-author paper accepted in Carbon.  Way to go Karthi!
  • OCTOBER, 2016: Yasemin passes her quals!  Way to go Yasemin!
  • SEPTEMBER, 2016: Mitch gets his second first-author paper accepted in the Journal of Physical Chemistry B.  Way to go Mitch!
  • SEPTEMBER, 2016: Mitch gets a CRE travel grant to attend the AIChE meeting in San Francisco.  Way to go Mitch!
  • SEPTEMBER, 2016: Mitch gets his second first-author paper accepted in the Journal of Physical Chemistry B.  Way to go Mitch!
  • SEPTEMBER, 2016: Mitch gets a travel grant to attend the AIChE meeting in San Francisco.  Way to go Mitch!
  • AUGUST, 2016: Mitch gets his first first-author paper accepted in the Journal of Physical Chemistry A.  Way to go Mitch!
  • AUGUST, 2016: Karthi gets his first first-author paper accepted in Dalton Transactions.  Way to go Karthi!
  • JUNE, 2016: Karthi becomes a PQI graduate fellow.  Way to go Karthi!
  • JUNE, 2016: Mitch wins a poster prize at the Midwest Theoretical Chemistry Conference.  Way to go Mitch!
  • JUNE, 2016: Karthi gets a travel grant to support his trip to Switzerland for a CECAM workshop "Exploring Chemical Space with Machine Learning and Quantum Mechanics” in Zurich, Switzerland.
  • MARCH, 2016: Mitch talks about his work in the group for the Pittsburgh Quantum Institute. 
  • MAY/JUNE, 2016: JAK will be giving an invited talk at the CECAM workshop on "Exploring Chemical Space with Machine Learning and Quantum Mechanics” in Zurich, Switzerland.
  • MARCH, 2016: JAK will be giving two invited talks at the Spring ACS meeting in San Diego, CA. 
  • FEBRUARY, 2016: JAK gave two invited presentations at the I2CNER symposium and workshop for CO2 capture and utilization at Kyushu University in Japan.  
  • JANUARY, 2016: JAK gave an invited talk at the Electrochemistry Gordon Research Conference in Ventura, CA.

News: 2015

  • DECEMBER, 2015Mitch wins a Pittsburgh Quantum Institute poster presentation award at the Science2015 meeting. Way to go Mitch!
  • DECEMBER, 2015: The group welcomes new Ph.D. student Yasemin Basdogan. Gemiye Hoşgeldiniz!
  • DECEMBER, 2015: Nguyen Vo wins an ASTRO Fellowship to visit and work at Oak Ridge National Labs for six months.
  • OCTOBER, 2015: JAK was named by Pittsburgh Business Times’ List for Whos Who in Energy for 2015.
  • OCTOBER, 2015Karthi wins a travel grant to present at the Electrochemical Society Meeting in Phoenix AZ.  Way to go Karthi!
  • SEPTEMBER, 2015: The group welcomes new undergraduate students Solomon, Abigail, and Kelly
  • AUGUST, 2015: JAK gave an invited talk in the COMP division session “Calculating pKas and redox potentials at the national ACS meeting in Boston.
  • JULY, 2015: Karthi visits Anatole von Lilienfelds research group at the University of Basel.
  • JUNE, 2015: Karthi and Mitch give oral presentations and Yaqun gives a poster presentation at the NAM24 meeting in Pittsburgh.  Nice work team!
  • MAY 4, 2015Our group’s computational study (with Neal Mankad, UIC) on hydroborylation with heterobimetallic catalysts was published in ACS Catal
  • APRIL, 2015: JAK gave an invited talk at the LONI Institute/LA-SiGMA seminar, Lousiana State University, Baton Rouge, LA on Apr. 1.
  • MARCH, 2015: JAK organized a 6-session symposium with Prof. Amanda Morris at the National ACS Meeting in Denver“Theoretical and Experimental Synergies at the Frontiers of Renewable Energy Catalysis”.  
  • FEBRUARY 3, 2015Our group’s study (with Kyle Grice, DePaul) on the selectivity of borohydride for CO2 and bicarbonate reduction in protic conditions was accepted in the journal Fuel.
  • JANUARY 6, 2015Our group’s publication on descriptors for efficient hydride transfers was published in ACS Catal. The local Pittsburgh NPR station did a story on it here.

News: 2014

  • NOVEMBER, 2014: JAK gave oral presentations in the Computational Catalysis IV and Applications of DFT+X in Catalysis sessions at the AIChE meeting in Atlanta, GA. 
  • OCTOBER, 2014: JAK was named by Pittsburgh Business Times’ List for Whos Who in Energy for 2014.
  • OCTOBER, 2014: JAK gave an invited oral presentation at the 2014 ACS Central Regional Meeting.
  • SEPTEMBER 9, 2014: Our paper using AIMD/NEB methods to model aqueous phase NaBH4 hydrolysis was published in J. Phys. Chem. C. Hooray!
  • AUGUST, 2014: Yinan Kang, Pitt undergrad, joins the group to work on global optimizations of conformers. Welcome!
  • AUGUST, 2014: JAK gave invited oral presentations at the PHYS and ENFL sessions of the 248th ACS National Meeting in San Francisco, CA.  
  • JULY 1, 2014: Victor Oyeyemi starts working in the group. Welcome Victor! 
  • JUNE 27, 2014: Our review on oxygen transport in perovskite-type solid oxide fuel cell materials is published in Acc. Chem. Res. Hooray!
  • JUNE 2, 2014: The Keith Group welcomes its newest member, William Gordon Keith, 7.0 lbs and 20 inches.  Everyone is well!
  • JUNE 2, 2014: Aude Marjolin was a last-minute substitute for JAK, giving an oral presentation in his place at the Pittsburgh-Cleveland Catalysis Society meeting. Thanks Aude!
  • MAY 31, 2014: Gina Wagner, a summer REU student from Trine University, starts working in the group studying how radionuclides bind in minerals for water remediation.  Welcome Gina!
  • MAY, 2014: JAK gave three lectures at a PITT workshop for Quantum Chemistry, sponsored by the Center for Simulation and Modeling. Links to the presentation slides and exercises can be found here.
  • APRIL, 2014: Karthi Saravanan was selected to attend the 2014 Open Science Grid summer school at UW-Madison in July 2014!  Way to go Karthi!
  • APRIL, 2014: Eric Gottlieb (CMU chemistry student co-advised by Profs.  Tomek Kowalewski and David Yaron) starts working in the group to study nanocarbon catalysis. Welcome Eric!
  • APRIL, 2014: Jeff Carr was selected for PITT’s study abroad program in Singapore in fall 2014. Way to go Jeff!
  • APRIL, 2014: Roy Amruthur was selected for a summer 2014 co-op with ChemADVISOR, Inc.  Way to go Roy!
  • APRIL, 2014: PITT CHE had a banner recruiting season for its PhD program! 13 students accepted aid packages and will join the department in the fall. Most are from underrepresented demographics in engineering. Welcome to PITT!
  • MARCH, 2014: JAK gave an invited oral presentation at the 247th ACS National Meeting in Dallas, TX on March 16, 2014.
  • JANUARY, 2014Karthikeyan Saravanan joined the group in January 2014. His research will be focused on developing reactive forcefield potentials for non-stoichiometric semiconductor nanomaterials. Welcome!
  • JANUARY, 2014Il est une nouvelle député de la ville. Aude Marjolin rejoint le groupe en Janvier que la première postdoc.  Elle aidera à gérer le groupe et étudiera les potentiels rédox de l'état excité en utilisant la théorie des premiers principes. Bienvenue!

News: 2013

  • DECEMBER, 2013Undergraduates Jeff Carr, Bronson Lockwood, and Blaec Toncini start working in the group to methodically unravel how molecular co-catalysts can promote hydride transfers for renewable energy. Welcome!
  • DECEMBER, 2013Undergraduate Roy Amruthur started working in the group (co-advised with Prof. Geoff Hutchison in the chemistry department) to benchmark Genetic Algorithms for locating global minima. Welcome!
  • DECEMBER, 2013: Graduate students Mitchell Groenenboom and Yaqun Zhu joined the group as inaugural group members! They are getting a crash-course in how to model, well, just about everything. Welcome! 
  • NOVEMBER 8th, 2013: JAK represented PITT CHE and the Center for Energy while recruiting students in the Meyerhoff Scholars Program at UMBC in Baltimore, MD.
  • NOVEMBER 7th, 2013: JAK's first paper as a corresponding author at PITT accepted for publication in J. Phys. Chem. Lett.  
  • NOVEMBER 5th, 2013: JAK co-chaired the DFT+X II session at the 2013 AIChE Annual Meeting in San Francisco, CA.
  • NOVEMBER 5th, 2013:  JAK gave an oral presentation at the 2013 AIChE Annual Meeting in San Francisco, CA.
  • NOVEMBER 4th, 2013: JAK represented PITT CHE and the Center for Energy while recruiting students at the 2013 AIChE Annual Meeting in San Francisco, CA.
  • OCTOBER 31th, 2013: JAK gave a workshop for PITT CHE students on making high quality presentations and images.  
  • OCTOBER 18th, 2013: JAK gave an invited oral presentation at the Joint Center for Artificial Photosynthesis in Pasadena, CA.
  • SEPTEMBER 26th, 2013: JAK gave a writing workshop for PITT CHE students. 
  • SEPTEMBER 17th, 2013: JAK appointed Director of Graduate Recruiting for the PITT CHE department. 
  • SEPTEMBER 9th, 2013: JAK gave an invited oral presentation at the 246th ACS National Meeting in Indianapolis, IN.
  • SEPTEMBER 1st, 2013: official start-date at PITT.  
  • JUNE 25th, 2013:  JAK gave an invited oral presentation at the 12th ICCDU meeting in Alexandria, VA.
  • APRIL 26, 2013: Inside Higher Ed magazine named JAK as a Mover and Shaker.  
  • MARCH 4, 2013: JAK joined the Chemical and Petroleum Engineering Department in the Swanson School of Engineering at the University of Pittsburgh (PITT)! More press: SSoE press releaseWesleyan Alumni Mag