Recent News
- June 2024: Ethan Shapera joins the group.
- May 2024: Congratulations to Eva for her promotion to SUNY Distinguished Professor, the highest academic rank in the State University of New York (SUNY) system.
- November 2023: Trevor Higgins joins the group.
- September 2023: Congratulations to Nisha Geng, who successfully defended her PhD thesis!
- February 2023: Francesco Belli and Samad Hajinazar join the group.
- January 2023: Congratulations to Xiaoyu Wang, who successfully defended his PhD thesis!
- September 2022: Dongbao Luo joins the group.
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November 2021: Biswas Rijal, Masashi Kimura and Seong Won Jang join the group.
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October 2021: Pratik Kumar Das joins the group.
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September 2021: Busheng Wang joins the group.
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June 2021: Josiah Roberts joins the group.
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March 2021: Stefano Racioppi joins the group.
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March 2021: Zurek is part of a team awarded a MURI grant to design and synthesize SPinodal-hardened high-entropy CEramics (SPICES) as described by UB.
- May 2020: Congratulations to Tiange Bi, who successfully defended her PhD thesis!
- November 2019: Morgan Reddington joins the group.
- September 2019: The discovery of high temperature superconductivity in a hydride of lanthanum under pressure is discussed on NPR's Science Friday, and Scientific American .
- July 2019: Katie Hilleke joins the group.
- January 2019: The discovery of high temperature superconductivity in a hydride of lanthanum under pressure is discussed on CBC's Quirks & Quarks, and Chemistry World .
- October 2018: The search for high temperature superconductivity is highlighted in C&EN News, and Science News.
- August 2018: Congratulations to Daniel Miller, who successfully defended his PhD thesis!
- November 2017: Nisha Geng joins the group.
- September 2017: Congratulations to Daniel Miller, who received the Chemistry Department's Silbert Fellowship.
- April 2017: Congratulations to Patrick Avery, who was awarded a prestigious Phase-I Software Fellowship from the Molecular Sciences Software Institute!
- January 2017: Congratulations to Andrew Shamp, who successfully defended his PhD thesis!
- November 2016: Congratulations to Tyson Terpstra, who successfully defended his PhD thesis!
- June 2016: Niloofar Zarifi joins the group.
- April 2016: Congratulations to Patrick Avery, who has been chosen as one of this years Google Summer of Code participants! Pat's project will result in the addition of visualization and analysis tools for periodic systems into Avogadro 2. To read more about Pat's project click here.
- March 2016: Our paper "DFT‐D Investigation of Active and Dormant Methylaluminoxane (MAO) Species Grafted onto a Magnesium Dichloride Cluster: A Model Study of Supported MAO" is highlighted by Scientific Computing and Modelling!
- Oct 2015: Release 9 of our evolutionary algorithm for predicting crystal structures,
XtalOpt is now available!
- Sept 2015: Congratulations to Tyson Terpstra, who has been chosen as one of the recipients of the Mattern-Tyler Teaching Award!!
- Dec 2014: Our paper "The Dynamic Equilibrium Between (AlOMe)n Cages and (AlOMe)n(AlMe3)m Nanotubes in Methylaluminoxane (MAO): A First Principles Investigation" is highlighted by Scientific Computing and Modelling.
- November 2014: Congratulations to Eva Zurek, who was awarded the "Quantum Systems in Chemistry and Physics Promising Young Scientist Prize of CMOA" (Centre de Mècanique Ondulatoire Appliquèe)!
- November 2014: Tiange Bi and Patrick Avery join the group.
- Sept 2014: Congratulations to Eva Zurek, who was awarded the UB Exceptional Scholar, Young Invesigator Award!
- June 2014: Congratulations to Tyson Terpstra, who was chosen for a student poster presentation at the Gordon Research Conference on High Pressure!
- May 2014: Congratulations to Scott Simpson, who has been chosen as one of the recipients of the College of Arts and Sciences Dissertation Fellowship!
- January 2014: Congratulations to Eva Zurek, who was awarded the TMS Young Leaders Professional Development Award !
- November 2013: Courtney Sosinski and Daniel Miller join the group.
- September 2013: Xiaoguong Luo and Nina Tyminska join the group.
- April 2013: Congratulations to Jiechen Chen for being awarded the Gehmen Scholarship. This award highlights her superior ability in mathematics and interest in mathematics education!
- March 2013: Congratulations to James Hooper for being awarded a HOMING PLUS fellowship from the Foundation for Polish Science!
- March 2013: Congratulations to Scott Simpson for winning UB's Graduate Student Excellence in Teaching Award!
- January 2013: Dr. Mariusz Kozik, Department Chair and Professor of Inorganic Chemistry at Canisius College, will carry out a sabbatical in our group!
- January 2013: Congratulations to David Lonie, who successfully defended his PhD thesis!
- November 2012: Our paper "Lithium Subhydrides Under Pressure and their Superatom-Like Building Blocks" is featured on the cover of ChemPlusChem!
- November 2012: Zack Falls and Tyson Terpstra join the group.
- August 2012: Congratulations to Scott Simpson, who has been chosen as one of the recipients of the Mattern-Tyler Teaching Award!
- May 2012: Congratulations to David Lonie, who has started his new position at Kitware as part of the company's OpenChemistry initiative.
- January 2012: URGE to compute students Jiechen Chen, Rainie Sachdev and Amanda Wach join the group.
- January 2012: Congratulations to David Lonie, who has been chosen as one of this Speyer Graduate Fellowship recipients. The Speyer Fellowship is awarded by UB and given to outstanding students in their third year of study.
- November 2011: Andrew Shamp joins the group.
- October 2011: Our research proposal "The Role of the Support in MAO (Methylaluminoxane)
Activated Olefin Polymerization" has received funding from the ACS Petroleum Research Fund!
- September 2011: Our paper "(Barely) Solid Li(NH3)4: The Electronics of an Expanded Metal" which was just published in the Journal of the American Chemical Society is highlighted in JACS Select.
- September 2011: Undergraduate Jiechen Chen joins the group.
- August 2011: Congratulations to Zack Falls for winning one of the REU poster prizes! Zack will attend the Spring 2012 ACS meeting, and present a poster on his research.
- July 2011: Bahadir Altintas joins the group.
- June 2011: We welcome Zack Falls and James Pander, our REU students!
- April 2011: Congratulations to David Lonie, who has been chosen as one of this years Google Summer of Code participants! David's project will result in new open source software which can be used to visualize molecular systems and their electronic structure. To read more about David Lonie's project click here.
- January 2011: James Hooper joins the group.
- November 2010: Scott Simpson joins the group.
- Sept 2010: Our evolutionary algorithm for predicting crystal structures,
XtalOpt is now available!
- January 2010: Our cluster "parity" comes on line!
- November 2009: David Lonie and Kyle Whitson join the group.
- September 2009: Pio Baettig joins the group.