Professor Andrew M. Rappe
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
Dr. Von Nascimento
Educational Background: Bachelor in Physics from the Universidade Federal de Minas Gerais, UFMG, Brazil
(03/1991 – 12/1994), Master in Physics Universidade Federal de Minas Gerais, UFMG, Brazil, and Doctorate in Science Universidade Federal de Minas Gerais, UFMG, Brazil (03/1997–11/2001).
Salvador, Bahia, Brazil (12/2002-09/2004), Post-doc research associate in University of Tennessee (UTK) Knoxville, Tennessee, USA (09/2004– 12/2007), Research Assistant Professor in University of Tennessee (UTK) Knoxville, Tennessee, USA (01/2008-12/2008), Research Assistant Professor in Louisiana State University (LSU) Baton Rouge, Louisiana, USA (01/2009-07/2012), Research Assistant Professor in Center for Computation and Technology (CCT-LSU) Baton Rouge, Louisiana, USA (06/2011-07/2012), Assistant Professor in Department of Physics, ICEx-UFMG, Belo Horizonte, Minas Gerais, Brazil (11/2012-10/2020), Associate Professor in Department of Physics, ICEx-UFMG, Belo Horizonte, Minas Gerais, Brazil (11/2020 to present day).
Research Interests: ferroelectricity, metal-insulator transitions, interfaces, ultra-thin films and nanostructures of complex oxides, molecular dynamics, montecarlo, global search methods, machine learning.
Email: vnascimento.ufmg@gmail.com, vbnasci@ufmg.br, vbnasci@sas.upenn.edu
Fun fact: “You got to know when to hold ’em, know when to fold ’em, know when to walk away and know when to run”- The Gambler, Kenny Rogers
Post-Docs
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. Diamond T. Jones
Educational Background: Ph.D. in Chemistry, University of Iowa, B.A. in Chemistry, Eastern Michigan University
Research Interests: ab initio methods for synthesis of metal carbide, 2D material MXenes
Email: djones7@sas.upenn.edu
Fellowship: NSF Mathematical and Physical Sciences Ascending Postdoctoral Research Fellowship (MPS-Ascend). Dr. Jones’ Specific Award.
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
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
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. Aaron Schankler
Educational Background: Ph.D. in Chemistry, University of Pennsylvania, B.S. in Chemistry from Haverford College with minors in Math and CS
Research Interests: optical properties of materials
Email: ams19@sas.upenn.edu
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
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
Educational Background: B.S. at Xiamen University.
Research Interests: bulk photovoltaics effect, mechanochemistry
Email: baoyt@sas.upenn.edu
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
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
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
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
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
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
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
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
Educational Background: MLS Scholar, Chemistry and Physics B.A.
Research Interests: ferroelectrics
Email: pmarcell@sas.upenn.edu
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
Educational Background: Chemistry B.A., Physics B.A.
Research Interests: MXenes, catalysis, mechanochemistry, energy
Email: domwill@sas.upenn.edu
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
Group Photos
