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    PI: Dr. Anastassia Alexandrova

    Born in USSR, she obtained her B.S./M.S. degree with highest honors from Saratov University, in 2000. She obtained her Ph.D. in Theoretical Physical Chemistry from Utah State University, in 2005. After that, she was a Postdoctoral Associate, and then an American Cancer Society Postdoctoral Fellow at Yale University. Anastassia joined the Faculty of the Department of Chemistry and Biochemistry, UCLA, and CNSI in 2010.

    Tel: (310) 825-3769
    Email: ana@chem.ucla.edu

Dr. Han Guo, Postdoctoral Associate

Han received her Ph.D. in 2018, from the University of Massachusetts, Amherst, group of Professor Bret Jackson.

Project: Han is interested broadly in complex virbonic phenomena and spectroscpy at interfaces, with applications ranging from catalysis to quantum computing.

Dr. Julen Munarriz, Postdoctoral Associate

Julen received his Ph.D. in 2019, from Universidad de Zaragoza, Spain, group of Dr. Victor Polo.

Project: Chemical bonding in materials, vibronic effects, alloy design.

Huanchen Zhai, Graduate Student

Huanchen obtained his B.S. from Shandong University in China; he was also a CSST Summer student in our group in 2014.

Project: Realistic modeling of heterogeneous catalytic interfaces.
Email: hczhai@chem.ucla.edu

Derek Urwin, Graduate Student

Derek completed his M.S. work in applied math, in UCLA, and now switched to chemistry.

Project: Polyaromatic hydrocarbon species as potential carcinogenes affecting the genome. Firefighter heath issues.
E-mail: djurwin@g.ucla.edu

David Reilley, Graduate Student

David obtained his B.A. degree from Haverford College.

Project: Artificial metalloenzymes, novel methods of biochemical simulations.
Email: dreilley@chem.ucla.edu

Jack Fuller, Graduate Student

Jack obtained his B.S. degree from BYU, where he did undergraduate research with Prof. Daniel Ess.

Project: Quantifying electrostatic preorganizaiton in enzymes. Artificial redox enzymes.
Email: jtfuller@chem.ucla.edu

Borna Zandkarimi, Graduate Student, Dean's Scholar

Borna obtained his M.S. in 2017 from the University of Minnesota, and a double B.S. degree in chemistry and chemical engineering from Sharif University of Technology in Iran.

Project: Realistic modeling of heterogeneous catalytic interfaces.
Email: bzkarimi@ucla.edu

Amy Lai, Graduate Student

Amy is advised jointly with Prof. Paula Diaconescu. She obtained her B.S. in 2016 from the University of the Sciences.

Project:Organometallic polymerization catalysis: experiment and theory.
Email: alai@chem.ucla.edu

Zerina Mehmedovic, Graduate Student, Competitve Edge Fellow

Zerina graduated from San Francisco State University, where she did computational research under the supervision of Prof. Nicole Adelstein.

Project: Ultra hard alloys and quantum materials.
Email: zerinam@chem.ucla.edu

Patricia Poths, Graduate Students, Dean's Scholar

Patricia graduated from the Imperial College of London, where she did undergraduate research with Profs. John Seddon and Fernando Bresme.

Project: Realistic modeling of dynamic heterogeneous catalytic interfaces.
Email: patriciapoths@chem.ucla.edu

Kirill Shumilov, Undergraduate Researcher

Project: Realistic simulations of functional materials and interfaces.
Email: kshumilov@ucla.edu

Matthew Hannefarth, Undergraduate Researcher

Project: Quantifying electrostatic preorganization in enzymes.
Email: mhennefarth@ucla.edu

Hang Yin, Undergraduate Researcher

Project: Ultra hard alloys.
Email: hang0610@g.ucla.edu

    Group Alumni:

    Addis Fuhr (Ph.D. 2019, co-advised with Philippe Sautet and Victor Klimov) => MITRE, computational physicist.
    Jiyuan Liu (CSC Scholar, 2016-2018) => continued his Ph.D. research in East China Institute of Science and Technology in Shanghai.
    PJ Robinson (BS 2018) => PhD student in Columbia University, group of David Reichman.
    Dr. Elisa Jimenez-Izal (Postdoc 2014-2018) => Ikerbasque Fellow (independent and permanent researcher position) in DIPC, Donostia, Basque Country, Spain.
    Amanda Morgenstern (co-supervised student from Colorado School of Mines; advisor - Mark Eberhart; Ph.D. 2017) => Assistant Professor in Colorado State University, Colorado Springs.
    Daniel Hartfield (MS 2017) => teacher in Palos Verdes High School.
    Mai-Anh Ha (PhD 2017) => Directors Postdoctoral Fellow in NREL.
    Michael Nechay (PhD 2017) => Data Scientist at Dell.
    Caleb Huang (undergraduate reseracher) => post-BS program at NIH.
    Zhihao Cui (CSST Summer student 2016) => PhD student in Caltech, group of Garnet Chan.
    Raymond Wang (CSST Summer student 2015) => graduate student in Northwestern University, group of Toru Shiozaki.
    Crystal Valdez (PhD 2015) => Postdoc in Stanford, group of Prof. Ed Solomon, then in Pfizer.
    Anjan Nandula (MS 2015) => engineer in WorldQuant.
    Dr. Jonny Dadras (Postdoc, 2012-2014) => Postdoc in Caltech, group of William Goddard.
    Dr. Tony Smith (Postdoc jointly with Prof. Radu, UCLA Medical School, 2012-2014) => data scientist in Teradata.
    Dr. Jin Zhang (Postdoc, 2010-2013) => Engineer in Google, Youtube branch.
    Lu Shen (MS 2014) => PhD student in UCLA, Physics.
    Dr. Manuel Sparta (Postdoc, 2010-2012) => Postdoc at Max Planck Institute, Mulheim an der Ruhr, group of Frank Neese.
    Mioy Huynh (B.S. 2012, URFP and CARE Research Fellow, 2010-2012) => Ph.D. student in University of Illinois at Urbana-Champaign, group of Sharon Hammes-Schieffer; then lecturer of chemistry at Yale University.
    Diana Yu (B.S. 2012, Kivelson Fellow, 2011-2012) => Ph.D. student in UC Merced.
    Natalya Burmistrova (visiting scholar, 2012) => Assistant Professor in Saratov University, Russia.
    Alina Sergeeva (visiting graduate student, 2012) => Postdoctoal Associate at Columbia University.