This document provides a summary of Amanda J. Neukirch's education and professional experience. She received a Ph.D. in Physics from the University of Rochester, where she studied excited state dynamics in nanoscale systems. She is currently a postdoctoral associate at Los Alamos National Laboratory, where she uses computational methods to analyze electronic and optical properties of perovskite materials. Her research experience also includes positions at Lawrence Livermore National Laboratory and the University of Rochester, where she conducted computational and experimental work on topics related to electron and molecular dynamics.
1. AMANDA J. NEUKIRCH
1
Los Alamos National Laboratory Cell Tel: (585) 230-6872
Theoretical Division and Center for Nonlinear Studies Work Tel : (505) 606-0478
Los Alamos, NM 87545 Email : ajneukirch@lanl.gov
EDUCATION
2014 (Oct), Ph.D., University of Rochester, Rochester, NY (Physics)
Advisor: Professor O.V. Prezhdo
Thesis Title: “Excited State Dynamics in Nanoscale Systems”
GPA: 3.7/4.0
2010 (May), M.A., University of Rochester, Rochester, NY (Physics)
GPA: 3.5/4.0
2007 (Dec), B.S., University of Nebraska-Lincoln Honors Program (Physics and Math)
Advisor: Professor T.J. Gay
Thesis Title: “Excitation Functions”
GPA: 3.84/4.00
RESEARCH EXPERIENCE
2014-present Postdoctoral Associate, Los Alamos National Laboratory, Los Alamos, NM
Advisor: Dr. S. Tretiak
Topic: Computational analysis of electronic and optical properties of
perovskite materials. Summer graduate student prior to postdoc.
2011-2014 Research Assistant, University of Rochester, Rochester, NY
Advisor: Professor O.V. Prezhdo
Topic: Computational analysis of electron relaxation in nanoscale
systems: I use commercial, open source, and in-house DFT codes.
2011 Summer Intern, Lawrence Livermore National Laboratory, Livermore, CA
Advisor: Dr. A. Correa and Professor Y. Kanai
Topic: Incorporating non-adiabatic molecular dynamics into the
quantum simulation package Qbox.
2009-2010 Research Assistant, University of Rochester, Rochester, NY
Advisor: Professor N.P. Bigelow
Topic: Spectroscopy on ultracold polar molecules: I worked with
Magneto-Optical Traps, laser systems, and ultra-high vacuum.
2008 Research Assistant, University of Nebraska-Lincoln, Lincoln, NE
Advisor: Professor H. Batelaan
Topic: Production of femtosecond electron pulses: I got experience
with femtosecond laser systems, optics, and vacuum systems.
2006 Undergraduate Researcher, Argonne National Laboratory, Argonne, IL
Advisor: Dr. L. Young
Topic: Automated x-ray focusing w/ dynamically bent mirrors at
the Advanced Photon Source
2004-2008 Student Researcher, University of Nebraska-Lincoln, Lincoln, NE
Advisor: Professor T.J. Gay
Topic: Measuring excitation functions of noble gases: I worked with
vacuum systems, electron beams, machine tools, and electronics.
2. AMANDA J. NEUKIRCH
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AWARDS & FELLOWSHIPS
MCC Travel Award to attend: JSAP-MRS Joint Symposia, Kyoto, Japan (2013)
Sponsored “young researcher” delegate to the Lindau Nobel Laureate Meeting (2013)
Multi-round selection process at the University, National, and International level
As many as 10,000 applicants started application process and 625 were selected
University of Rochester Provost Fellowship (2008-2010, 2013)
University of Nebraska-Lincoln Dean’s List (2003-2007)
University of Nebraska-Lincoln Regents Scholarship (2003-2007)
TEACHING EXPERIENCE
University of Rochester
The Nature of the Physical World for Prof. S. Manly (Spring 2009)
Honors Mechanics for Prof. F.L.H. Wolfs (Fall 2008)
University of Nebraska-Lincoln
Elementary General Physics II for Dr. O. Yenen (Spring 2008)
Analytic Geometry and Calculus I for Prof. M. Brittenham (Fall 2007)
SERVICE TO PROFESSION & COMMUNITY
Careers and Curiosity in Math and Science Event at Nava Elementary (2015)
Co-Organized Q-Mat Seminar Series at LANL (2014/2015)
Referee for articles published in: Coordination Chemistry Reviews, Journal of Chemical
Physics, Nano Letters, Physical Review Letters, and Theoretical Chemistry Accounts
Weekly volunteer in Ms. Buckpitt’s 1st
grade class at School 9 in Rochester, NY (2013)
University of Rochester Department of Physics Recruitment Speaker (2012)
Training Facilitator at University of Rochester Teacher’s Assistant Training (2010)
Panel Leader for University of Nebraska-Lincoln Women in Science Conference (2007)
PRESENTATIONS
Invited Talks
6. “Ab initio modeling of organometallic halide perovskites for photovoltaic applications”
CNLS Postdoc Seminar, Los Alamos, NM, April 30, 2015.
5. “Excited State Dynamics in Nanoscale Systems” CNLS Postdoc Seminar, July 10, 2014.
4. “Non-adiabatic Dynamics in Nanoscale Systems” Seminar for Aspuru-Guzik group at
Harvard University, Boston, MA, February 19, 2014.
6. “Photoinduced isomerization of azobenzene derivatives,” JSAP-MRS Joint Symposia, High-
Performance Computing and Electronic Structure Calculations in Materials Research,
Kyoto, Japan, September 16, 2013.
3. AMANDA J. NEUKIRCH
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3. “Transient absorption spectroscopy for the detection of multiexciton states semiconductor
quantum dots,” Seminar at the Max Planck Institute of Quantum Optics, Garching, Germany,
July 9, 2013.
2. “Attosecond spectroscopy of electronic coherence in semiconductor quantum dots,”
American Chemical Society, Nonadiabatic Dynamics: Surface Hopping and Beyond
Symposium, San Diego, CA, March 25-29, 2012.
1. “Attosecond spectroscopy of electronic coherence in semiconductor quantum dots,” National
Workshop on Non-adiabatic Dynamics, Telluride Summer Research Center, Telluride, CO,
July 4-8, 2011.
Contributed Talks
6. “Ab initio modeling of the optical properties in organometallic halide perovksites for
photovoltaic applications” American Physical Society, San Antonio, TX, March 4, 2015.
5. “Electronic and optical properties of metal-organic frameworks with azobenzene derivatives
introduced to the organic linker,” American Chemical Society, Theory and Simulation in
Energy and Fuel Production and Utilization, New Orleans, LA, April 8, 2013.
4. “Density functional theory investigation of electronic and optical properties of
semiconductor quantum dots,” American Chemical Society, Northeastern Regional Meeting;
Physical Chemistry, Rochester, NY, October 2, 2012.
3. “Density functional theory investigation of tunable surface composition of CdS quantum
dots,” American Physical Society, Focus Session: DFT VIII: Time-Dependent Processes II:
Excitations, Boston, MA, March 1, 2012.
2. “Transient absorption spectroscopy for the detection of multiexciton states in semiconductor
quantum dots,” American Physical Society, Focus Session: Impact of Ultrafast lasers V:
Applications II, Boston, MA, March 1, 2012.
1. “Optical excitation Funtions of N2
+
,” American Physical Society, 38th Annual Meeting of
the Division of Atomic, Molecular, and Optical Physics, Calgary, Alberta, Canada, June 5-
9, 2007.
Contributed Posters
3. “Ab initio modeling of organometallic halide perovskites for photovoltaic applications,”
Gordon Conference: Nanomaterials for Applications in Energy Technology, Februrary 22-
27, 2015.
2. “Photoisomerizatin of Azobenzene Derivatives,” Conference on Excited State Processes,
Santa Fe, New Mexico, June 9-12, 2014.
1. “Red detuned far-off resonant optical dipole trap for NaCs molecules,” Regional Workshop
on Laser Science, XII Cross Border Workshop, Waterloo, Ontario, Canada, June 3-5, 2010.
4. AMANDA J. NEUKIRCH
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LIST OF PUBLICATIONS
Forthcoming
16. A.J. Neukirch, J. Even, W. Nie, J.C. Blancon, J.J. Crochet, A.D. Mohite, C. Katan, S.
Tretiak, “Light-induced polaron formation in perovskite solar devices” (In preparation).
15. W. Nie, J.C. Blancon, H. Tsai, A.J. Neukirch, J.J. Crochet, M. Chhowalla, M.A. Alam, S.
Tretiak G. Gupta, A.D. Mohite, “Origin of photo-stability and self-healing in perovskite solar
cells” (Submitted to Nature Materials).
14. J.C. Blancon, W. Nie, A.J. Neukirch, G. Gupta, S. Tretiak, A.D. Mohite, “Classical direct
band-gap recombination in solution-processed crystalline thin film organic-inorganic
perovskites” (Submitted to Nature Photonics)
Peer Reviewed Journal Articles1
13. W. Nie, J.C. Robert, R. Asadpour, H. Tsai, A.J. Neukirch, G. Gupta, J.J. Crochet, M.
Chhowalla, S. Tretiak, M.A. Alam, H. Wang, A.D. Mohite, “High efficiency millimeter scale
single crystalline perovskite solar cell,” Science 345(6221), 522 (2015), doi:
10.1126/science.aaa0472. (IF: 31.477, cited 2 (20) times).
12. A.J. Neukirch, J. Park, V. Zobac, H. Wang, Pavel Jelinek, O.V. Prezhdo, H.C. Zhou, J.P.
Lewis, “Calculated photoisomerization efficiencies of functionalized azobenzene derivatives
in solar energy materials: azo-functional organic linkers for porous coordinated polymers,”
J. Phys.: Cond. Matt. 27(12), 134208 (2015), doi: 10.1088/0953-8984/27/13/134208.
(IF: 2.355, cited 0 (1) times).
Journal Cover
11. A.J. Neukirch, D.M. Neumark, M.F. Kling, O.V. Prezhdo, “Transient absorption
spectroscopy for the detection of multiexciton states in semiconductor quantum dots,” Optics
Express 22(21), 26285 (2014), doi: 10.1364/OE.22.026285. (IF: 3.5, cited 0 times).
10. J. Liu2
, A.J. Neukirch, O.V. Prezhdo, “Non-radiative electron-hole recombination in silicon
clusters: Ab inito nonadiabatic molecular dynamics,” J. Phys. Chem. C 118, 20702 (2014),
doi: 10.1021/jp5067296. (IF: 4.835, cited 3 (3) times).
9. A.J. Neukirch, L.C. Shamberger, E. Abad, B.J. Haycock, H. Wang, J. Ortega, O.V. Prezhdo,
J.P. Lewis, “Nonadiabatic ensemble simulations of cis-stilbene and cis-azobenzene
photoisomerization,” J. Chem. Theory and Comp., 10(1), 14 (2014), doi:10.1021/ct4009816.
(IF: 5.389, cited 7 (10) times)
Most accessed article: #16/20 in Dec 2013
8. A.J. Neukirch, K. Hyeon-Deuk, O.V. Prezhdo, “A Time-Domain Ab intio view of excitation
dynamics in quantum dots,” Coord. Chem. Rev., 263-264, 161 (2014), doi:
10.1016/j.ccr.2013.08.35. (IF: 11.016, cited 6 (7) times)
Invited Review
1
Impact Fator (IF) as of 2012. Number of times cited according to Web of Science (Google Scholar) as of 04/15.
2
Underlined names are students that I helped mentor.
5. AMANDA J. NEUKIRCH
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7. J. Liu, A.J. Neukirch, O.V. Prezhdo, “Phonon-induced pure-dephasing of luminescence,
multiple exciton generation and fission in silicon clusters,” J. Chem. Phys., 139, 164303
(2013), doi: 10.1063/1.4825401. (IF: 3.164, cited 1 (1) times)
6. A.V. Akimov, A.J. Neukirch, O.V. Prezhdo, “Theoretical insights into photoinduced
charge transfer and catalysis at oxide interfaces,” Chem. Rev., 113(6), 4496 (2013), doi:
10.1021/cr3004899. (IF: 41.298, cited 70 (82) times)
Invited Review
5. S.V. Kilina, A.J. Neukirch, B.F. Habenicht, D.S. Kilin, O.V. Prezhdo, “Quantum Zeno
effect rationalizes the phonon bottleneck in semiconductor quantum dots,” Phys. Rev. Lett.
110, 180404 (2013), doi: 10.1103/PhysRevLett.110.180404. (IF: 7.943, cited 20 (24) times)
4. H.H. Wei, C.M. Evans, B.D. Swartz, A.J. Neukirch, J. Young, O.V. Prezhdo, T.D. Krauss,
“Colloidal semiconductors quantum dots with tunable surface composition,” Nano Lett. 12
(9), 4465 (2012), doi: 10.1021/nl3012962. (IF: 13.025, cited 38 (39) times)
3. A.J. Neukirch, Z. Guo, O.V. Prezhdo, “Time-domain ab initio study of phonon-induced
relaxation of plasmon excitations in silver quantum dots,” J. Phys. Chem. C 116, 15034
(2012), doi: 10.1021/jp303361y. (IF: 4.814, cited 12 (14) times)
2. P. Zabawa, A. Wakim, A. Neukirch, C. Haimberger, N.P. Bigelow, A.V. Stolyarov, E.A.
Pazyuk, M. Taminis, R. Ferber “Near-dissociation photoassociative production of deeply
bound NaCs molecules,” Phys. Rev. A 82, 040501(R) (2010), doi:
10.1103/PhysRevA.82.040501. (IF: 3.042, cited 19 (24) times)
1. S.A. Hilbert, A. Neukirch, C.J.G.J. Uiterwaal, H. Batelaan, “Exploring temporal and rate
limits of laser-induced electron emission,” J. Phys. B 42, 141001 (2009), doi:10.1088/0953-
0475/42/14/141001. (IF: 2.031, cited 15 (20) times)
Invited Book Chapters
1. A.J. Neukirch and O.V. Prezhdo, “Charge and exciton Dynamics in Semiconductor
Quantum Dots: A Time-Domain, ab Initio View,” in book Dynamics of Electron Transfer in
Solar Energy Conversion, Edited by Piotr Piotrowiak, ISBN 978-1-84973-387-8 Royal
Society of Chemistry (2013).