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UID:0-5445@eng.ufl.edu
DTSTART;TZID=America/New_York:20221108T150000
DTEND;TZID=America/New_York:20221108T160000
DTSTAMP:20251201T205721Z
URL:https://www.eng.ufl.edu/news-events/events/mse-seminar-theoretical-des
 ign-of-light-element-superconductors/
SUMMARY:MSE Seminar: "Theoretical Design of Light-Element Superconductors"
DESCRIPTION:Eva Zurek\, Ph.D.\nProfessor\, Department of Chemistry\nUnivers
 ity of Buffalo\, SUNY\nDr. Eva Zurek received a BSc in Chemistry and Phys
 ics (2000) and an MSc (2002) from the University of Calgary\, Canada. Eva 
 was awarded a Ph.D. fellowship from the Max Planck Research School for Adv
 anced Materials in Stuttgart\, Germany\, and her postdoctoral research was
  performed at Cornell University with Roald Hoffmann in collaboration with
  Neil Ashcroft. In 2009 Eva became an Assistant Professor at the Universit
 y at Buffalo\, SUNY\, where she was promoted to Full Professor in 2016. Ev
 a received the Alfred P Sloan Fellowship (2013)\, The Minerals\, Metals an
 d Materials Society Young Leader Award (2014)\, UB Exceptional Scholar You
 ng Investigator Award (2014)\, Quantum Systems in Chemistry and Physics Pr
 omising Young Scientist Award (2014)\, the APT Teaching Award from UB (201
 6)\, and a SUNY Chancellor’s Award for Excellence in Scholarship (2021).
  She is an editorial board member of Physical Review Materials\, and Vice 
 Chair for the American Physical Society’s Division of Computational Phys
 ics (APS-DCOMP). Eva’s research is geared towards studying the electroni
 c structure\, properties and reactivity of a wide variety of materials usi
 ng first-principles calculations. She is interested in high-pressure scien
 ce\, superhard\, superconducting\, quantum and planetary materials\, catal
 ysis\, as well as solvated electrons and electrides. Her group develops al
 gorithms for the a priori prediction of the structures of crystals\, inter
 faces them with machine learning models\, and applies them in materials di
 scovery. Eva has been interviewed by Scientific American\, NPR’s Science
  Friday\, as well as CBC’s Quirks and Quarks on breakthroughs in materia
 ls discovery. \nAbstract\nAdvances in ab-initio crystal structure predict
 ion algorithms\, methods for calculating electron-phonon interactions\, an
 d machine learning have opened the door towards the rational discovery of 
 conventional superconductors with superior behavior. Herein\, we report th
 eoretical studies of various light-element based superconductors that are 
 discovered using the XtalOpt evolutionary algorithm for crystal structure 
 prediction\, or via high-throughput calculations on prototype structures k
 nown to be conducive towards superconductivity.\n\nRoom-temperature superc
 onductivity in SH3 doped with a third element under pressure has been repo
 rted. To shed light on the structures that may have been synthesized we ca
 rry out a systematic investigation of the effect of doping H3S by carbon a
 nd phosphorus\, considering different doping schemes. Moreover\, we show h
 ow a chemical pressure analysis can be useful in designing ternary or quat
 ernary clathrate superhydride superconductors that can be stabilized to lo
 wer pressures.\n\nFinally\, we consider carbon-containing superconducting 
 materials stable at ambient conditions\, some which are predicted to be su
 perhard. 
CATEGORIES:Seminars
LOCATION:Rhines Hall Room 125\, 549 Gale Lemerand Drive\, Gainesville\, FL\
 , 32611\, United States
GEO:29.644403;-82.350403
X-APPLE-STRUCTURED-LOCATION;VALUE=URI;X-ADDRESS=549 Gale Lemerand Drive\, G
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 Hall Room 125:geo:29.644403,-82.350403
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