Professor Andrew M. Rappe
![Andrew M. Rappe](https://web.sas.upenn.edu/rappe-lab/files/2022/09/Screen-Shot-2022-09-26-at-10.55.43-AM-e1721312073412.png)
Contact
Room 264
Department of Chemistry
University of Pennsylvania
231 South 34th Street
Philadelphia, PA 19104-6323, U.S.A.
Phone: (215) 898-8313
Fax: (215) 573-2112
E-mail: rappe@sas.upenn.edu
Education
- B.A. Chemistry and Physics, Summa Cum Laude, Harvard University (1986)
- ONR Graduate Fellow, Massachusetts Institute of Technology (1986-1989)
- JSEP Graduate Fellow, Massachusetts Institute of Technology (1990-1992)
- Ph. D. Physics and Chemistry, Massachusetts Institute of Technology (1992)
- IBM Postdoctoral Fellow, University of California at Berkeley (1992-1994)
- Assistant Professor of Chemistry, University of Pennsylvania (1994-2000)
- Associate Professor of Chemistry, University of Pennsylvania (2000-2006)
- Professor of Chemistry, University of Pennsylvania (2006-present)
- NSF CAREER Award (1997-2001)
- Alfred P. Sloan Foundation Fellow (1998-2000)
- Dreyfus Teacher-Scholar Award (1999-2004)
Appointments
Professor of Chemistry
Professor of Materials Science and Engineering
Co-Director, Vagelos Integrated Program in Energy Research
Visiting Scholars
Post-Docs
![Dr. Farzaneh Jahanbakhshi](https://web.sas.upenn.edu/rappe-lab/files/2023/08/IMG_5368-e1721328865104.jpg)
Dr. Farzaneh Jahanbakhshi
Educational Background: Ph.D. in Chemistry, École Polytechnique Fédérale de Lausanne (EPFL).
Research Interests: quantum mechanics-based simulation methods and their application and extension to chemical systems and materials for energy technologies
Email: farjb@sas.upenn.edu
![Dr. Bumseop Kim](https://web.sas.upenn.edu/rappe-lab/files/2024/07/IMG_2390.jpg)
Dr. Bumseop Kim
Educational background: Ph. D. from UNIST, South Korea, B.S. from Ulsan National University of Science and Technology (UNIST), South Korea.
Research interests: light-induced phenomena and light-matter interaction of low-dimensional material using DFT and time-dependent DFT
Email: suney95@sas.upenn.edu
![Dr. Kairi Masuda](https://web.sas.upenn.edu/rappe-lab/files/2023/08/PXL_20230724_2212420902-e1721312399579.jpg)
Dr. Kairi Masuda
Educational Background: Mechanical Engineering PhD at Kyoto University
Research Interest: phase-field modeling for atomic and quantum scale
Email: kamasuda@sas.upenn.edu
![Dr. Atanu Samanta](https://web.sas.upenn.edu/rappe-lab/files/2022/09/20220915_151947-1-e1721328079688.jpg)
Dr. Atanu Samanta
Educational Background: Ph.D. from Material Research Centre (MRC), Indian Institute of Science (IISc), Bengaluru, India, M.Sc. in Physics from Indian Institute of Technology–Madras (IIT-M), Chennai, India.
Research Interests:
Email: atanu@sas.upenn.edu
![Dr. Tan Zhang](https://web.sas.upenn.edu/rappe-lab/files/2024/07/IMG_0880.jpg)
Dr. Tan Zhang
Educational Background: Ph.D. in Condensed Matter Physics.
Research Interests: prediction of topological materials, novel properties in topological materials, topological catalysis
Email: tanzhang@sas.upenn.edu
![Dr. Songsong Zhou](https://web.sas.upenn.edu/rappe-lab/files/2022/09/Screen-Shot-2022-09-28-at-10.22.23-AM-e1721428108728.png)
Dr. Songsong Zhou
Educational Background: Ph.D. University of Pennsylvania, B.S. Central South University, China
Research Interests: DFT simulations of thin films, 2D materials and ferroelectrics
Email: songzhou@sas.upenn.edu
PhD Students
![Yutian Bao](https://web.sas.upenn.edu/rappe-lab/files/2022/09/Screen-Shot-2022-09-28-at-10.40.02-AM-e1721330538690.png)
Yutian Bao
Educational Background: B.S. at Xiamen University.
Research Interests: bulk photovoltaics effect, mechanochemistry
Email: baoyt@sas.upenn.edu
![Drew Behrendt](https://web.sas.upenn.edu/rappe-lab/files/2022/09/Screen-Shot-2022-09-27-at-2.53.00-PM-e1721426564947.png)
Drew Behrendt
Educational Background: B.S. in Chemistry with a Minor in Business from Temple University.
Research Interests: high-throughput calculations, machine learning, first principles-based molecular dynamics methods to uncover emergent material properties and large scale systems.
Email: drewbehr@sas.upenn.edu
![Aaliyah Khan](https://web.sas.upenn.edu/rappe-lab/files/2023/08/IMG_3980-e1721330782590.jpg)
Aaliyah Khan
Educational Background: Chemistry B.S. and Computer Science minor from the University of Maryland Baltimore County (UMBC).
Research Interests: ferroelectrics, perovskites and perovskite-like materials, phase transitions and machine learning.
Email: aaliyahk@sas.upenn.edu.
Fellowship: NSF GRFP
![Yu-Ling Liu](https://web.sas.upenn.edu/rappe-lab/files/2024/07/20240721.jpg)
Yu-Ling Liu
Educational Background: M.S. in Materials Science and Engineering, National Taiwan University, B.S. in Materials Science and Engineering, National Taiwan University
Research Interests: light-matter interaction
Email: liuyl@sas.upenn.edu
![Shihan Qin](https://web.sas.upenn.edu/rappe-lab/files/2022/09/Screen-Shot-2022-09-27-at-4.17.30-PM-e1721426197433.png)
Shihan Qin
Educational Background: B.S., Sun Yat-sen University, China
Research Interests: catalysis, material design, and related methods development such as machine learning
Email: qinshh@sas.upenn.edu
![Xianfei Xu](https://web.sas.upenn.edu/rappe-lab/files/2023/10/1690937061841-e1721428259470.jpeg)
Xianfei Xu
Educational Background: H.B.Sc. with High Distinction in Chemical Physics Specialist & Mathematics Major, University of Toronto, Canada
Research Interests: DFT calculations in the computational design and optimization of material, theory of quantum matter
Email: xianfeix@sas.upenn.edu
Master’s Students
![Tianhongyi Zhao](https://web.sas.upenn.edu/rappe-lab/files/2023/08/picture_Tianhongyi-e1721681392719.jpg)
Tianhongyi Zhao
Educational Background: Materials Physics B.S. from Xi’an Jiatong University (XKTU)
Research Interests: ferroelectric materials, condensed matter physics, electron structure
Email: dlzthy@sas.upenn.edu
Undergraduate Students
![Peter Bazianos](https://web.sas.upenn.edu/rappe-lab/files/2022/09/Screen-Shot-2022-09-27-at-3.48.52-PM-e1721237950271.png)
Peter Bazianos
Educational Background: VIPER, Physics B.A., Material Science and Engineering B.S.E.
Research Interests: energy storage, condensed matter physics, material design, catalysis
Email: peterbaz@seas.upenn.edu
![Peter Li](https://web.sas.upenn.edu/rappe-lab/files/2024/07/IMG_9075.jpg)
Peter Li
Educational Background: VIPER, Physics B.A./M.S., Material Science and Engineering B.S.E
Research Interests: Ferroelectrics, computational methods
Email: lipeter@sas.upenn.edu
![Marcell I. Papp](https://web.sas.upenn.edu/rappe-lab/files/2024/08/image.jpg)
Marcell I. Papp
Educational Background: MLS Scholar, Chemistry and Physics B.A.
Research Interests: ferroelectrics
Email: pmarcell@sas.upenn.edu
![Eric Sun](https://web.sas.upenn.edu/rappe-lab/files/2024/07/1681875533131.jpg)
Eric Sun
Educational Background: VIPER, Physics B.A./M.S., Computer Science B.S.E.
Research Interests: pseudopotential implementation and theory, condensed matter theory, machine learning
Email: ericsun@seas.upenn.edu
![Dominic Willadsen](https://web.sas.upenn.edu/rappe-lab/files/2024/07/IMG_0861.jpeg)
Dominic Willadsen
Educational Background: Chemistry B.A., Physics B.A.
Research Interests: MXenes, catalysis, mechanochemistry, energy
Email: domwill@sas.upenn.edu
![Lucy Zeng](https://web.sas.upenn.edu/rappe-lab/files/2023/08/IMG_1791-e1721237762922.jpg)
Lucy Zeng
Educational Background: VIPER, Chemistry B.A., Material Science and Engineering B.S.E
Research Interests: bulk photovoltaic effect, MXenes, mechanochemistry
Email: lhzeng@seas.upenn.edu
Past Members