Peng Liu Research Group
Computational Organic Chemistry
Department of Chemistry
University of Pittsburgh
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Current Group Members

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Prof. Peng Liu

Postdoc, University of California, Los Angeles (2010−2014)
Ph.D., University of California, Los Angeles (2006−2010)

Postdoctoral Scholars

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Dr. Xiaotian Qi
Postdoctoral Scholar (2017−)
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Ph.D., Chongqing University, Chongqing, China (2013 - 2017)
B.Sc., Chongqing University, Chongqing, China (2009 - 2013)



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Dr. Binh Khanh Mai
Postdoctoral Scholar (2019−)
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  • Postdoctoral Researcher, Stockholm University, Sweden (2017 - 2019)
  • Postdoctoral Researcher, Nanyang Technological University, Singapore (2016)
  • Ph.D. in Physical Chemistry, Kyung Hee University, Korea (2011 - 2016)
  • Researcher, Institute for Computational Science and Technology, Vietnam (2008 - 2011)
  • B.A. in Chemistry, Ho Chi Minh City University of Education, Vietnam (2004 - 2008)

Graduate Students

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Cristian Morales-Rivera
Graduate Student (2014−)

B.Sc. in Chemistry, University of Puerto Rico, San Juan, PR (2014)


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Humair Omer
Graduate Student (2014−)
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B.Sc. in Chemistry, National University of Singapore (2011)



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Tuğçe Erbay
Graduate Student (2015−)

​​M.Sc., Boğaziçi University, Istanbul, Turkey
B.Sc., Boğaziçi University, Istanbul, Turkey​


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Ilia Kevlishvili 
Graduate Student (2016−)  
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B.Sc. Franklin and Marshall College, ​Lancaster, PA



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Luke T. Jesikiewicz
Graduate Student (2017−)
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B.Sc. University of Pittsburgh (2017)



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Elena Kusevska
Graduate Student (2018−)
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M. Sc. Autonomous University of Madrid
B.Sc. Ss. Cyril and Methodius University

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Yimin Chen
Graduate Student (2018−)
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B.Sc. in Chemistry, Nanjing University (2018)



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Bruce Thompson 
Graduate Student (2018−)
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B.Sc. University of California, San Diego 



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William Bell 
Graduate Student (2019−)
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B.Sc. University of California, San Diego 



Visiting Scholars

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Prof. Hua Hao
Visiting Scholar (2018−)
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Associate Professor, Institute of Solid State Physics, Chinese Academy of Sciences
Ph.D. Institute of Solid State Physics, Chinese Academy of Sciences, Hefei, China (2011)
​B.Sc. Shanxi University, Taiyuan, China (2006)


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Prof. Wenrui Zheng
Visiting Scholar (2019−)
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Associate Professor, College of chemistry and chemical engineering, Shanghai University of Engineering Science
Ph.D. University of Science and Technology of China, Hefei, China (2008)
​B.Sc. Hubei University, Wuhan, China (2002)


Group Alumni 

Postdoctoral Scholars

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Dr. Gang Lu
Postdoctoral Scholar (2014−2018)

Ph.D. University of Chinese Academy of Sciences, Beijing, China (2012)

Current position:
Professor, Shandong University, China



Graduate Students

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Dr. Cheng Fang
Graduate Student (2014−2019)

Current position:
Computational Scientist, Biogen, Cambridge, MA.

Ph.D. in Computational Modeling & Simulation, University of Pittsburgh (2019)
M.Sc. in Pharmaceutical Sciences, University of Pittsburgh (2014)
M.Sc. in Medicinal Chemistry, Peking Union Medical College, Beijing, China (2011)
B.S. in Pharmacy, China Pharmaceutical University, Nanjing, China (2008)

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Dr. Huiling Shao
Graduate Student (2014−2019)

​Current position:
Postdoctoral Scholar, University of Minnesota, Minneapolis, MN (Advisor: Chris Cramer).

Ph.D. in Chemistry, University of Pittsburgh (2019)
B.Sc. in Chemistry, University of Richmond (2014)


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Gabriel A. Cintrón-Rosado
Graduate Student (2015−2018)

M.Sc. University of Pittsburgh (2018)
​B.Sc. University of Puerto Rico (2013)
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Visiting Scholars and Visiting Students

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Prof. Ran Fang
Visiting Scholar (2015−2016)

Current position:
Associate Professor, Lanzhou University, Lanzhou, China
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Dr. Yanyan Wang
Visiting Graduate Student (2016−2018)

Current position:
Postdoctoral Scholar, Zhengzhou University, Zhengzhou, China
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Daniel Marchant
Visiting Undergraduate Student (Summer 2018)
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Current position: 
Jesus College, University of Cambridge


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