1. LEI WANG
4017 NE 88TH
STREET, SEATTLE, WA 98115  (414) 510-2459  WANGL67@UW.EDU
 Education & Work Experience
M. S. in CFRM University of Washington - Seattle, Department of Applied
(2015-present) Mathematics, Seattle, WA
Computational Finance and Risk Management (CFRM), expected
December 2016
Post-doc University of South Carolina, Department of Chemistry &
(2012-2015) Biochemistry, Columbia, SC
Research in the area of Quantum or Bohmian Trajectories
(under prof. Sophya Garashchuk, collaborate with Jacek Jakowski
from National Institute of Computational Science, University of
Tennessee, Oak ridge, Tennessee)
Ph. D (2007-2012) Marquette University, Department of Chemistry, Milwaukee, WI
Major in Chemical Physics (under prof. Dmitri Babikov,
collaborate with Martin Gruebele from University of Illinois at
Urbana-Champaign)
M. S. (2004-2007) Dalian University of Technology, Department of Physics, China
Major in Quantum Information (under prof. He-Shan Song) and
Major in Molecular Reaction Dynamics (under prof. Ke-Li Han
from Dalian Institute of Chemical Physics, Dalian, China)
B. S. (2000-2004) Dalian University of Technology, Department of Physics, China
Major in Applied Physics
 Highlights
Research and Experiences:
 MS in CFRM: learnt Mathematical Finance, R Programming for Computational
Finance, Options and Other Derivatives, Fixed Income Analytics and Portfolio
Management. Accumulated financial modeling skills, for example, Option pricing
and hedging using Black-Scholes model, binomial trees, Monte Carlo simulations;
Bootstrapping for computing the yield curve, calculating duration and convexity.
Participated CFA Institute Research Challenge: Applied fundamental and
quantitative methods to analyze stock performance of an assigned publicly traded
company, Accumulated financial analysis experience and wrote research reports with
a buy, sell, or hold recommendation.
 Post-doc research was responsible for simulating the interaction of hydrogen with a
model graphene sheet to study the quantum nuclear effects using Quantum
Trajectory – Electronic Structure combined with Density Functional Tight Binding
dynamics approach.
 Ph.D research was focus on modeling an optimal electric field which could be
utilized to control universal Quantum Gates/Circuits by addressing the state-to-state
transitions and controlling the motional modes of trapped ions in the anharmonic
linear trap.
 Involved in computational method and code development, optimization and
massively parallel implementation using Message Passing Interface (MPI)/Open MP.
 Theoretical study has provided ideal experience to implement
computational/mathematical methods into modeling and simulation project with
scientific computing.

2. Computer knowledge:
 System: Linux, Dos, Windows
 Office Software: Microsoft Office, LaTex
 Language: R, Fortran, SQL, VBA, Python, C, MPI, Open MP
 Chemistry/Computing Software: Spartan, Q-Chem, VMD, Avogadro, Gaussian,
Maple, DFTB, DFTB+
Research Background
I was involved in the development of mathematical models, numerical methods and
computer codes (including code parallelization) for computer modeling of the
numerically intense physical/chemical problems. In my research I used extensively
several massively-parallel supercomputers on Kraken/Darter at National Institute for
Computational Sciences (NICS).
 Awards
1. 2010-2011, Student Awardee of the American Institute of Chemists
Foundation, Marquette University
2. 2003-2004, The Second level of scholarship, merit student of Dalian
University of Technology (DUT)
3. 2002-2003, The Third level of scholarship, merit student of Department of
2001-2002, Physics at DUT
2000-2001,
 Professional Activities
Reviewer for the Spectroscopy Letters
 Publications
1. L. Wang, J. Jakowski, and S. Garashchuk, “Adsorption of a Hydrogen Atom on a
Graphene Flake Examined with Quantum Trajectory/Electronic Structure Dynamics”.
J. Phys. Chem. C. 118 (29), 16175-16187 (2014).
2. L. Wang, J. W. Mazzuca, S. Garashchuk and J. Jakowski, “The Hybrid Quantum
Trajectory/Electronic Structure DFTB-Based Approach to Molecular Dynamics”.
Conference proceedings of XSEDE14, 2014.
3. S. Garashchuk, J. Jakowski, L. Wang, B. G. Sumpter, “A Quantum Trajectory-
Electronic Structure Approach for Exploring Nuclear Effects in the Dynamics of
Nanomaterials”. J. Chem. Theory Comput., 9 (12), 5221–5235 (2013).
4. L. Wang and D. Babikov, “Feasibility of encoding Shor’s algorithm into the
motional states of an ion in the anharmonic trap”. J. Chem. Phys. 137, 064301 (2012).
5. E. Berrios, M. Gruebele, D. Shyshlov, L. Wang and D. Babikov, “High-fidelity
quantum gates with vibrational qubits”. J. Phys. Chem. A, 116 (46), 11347 (2012).
6. L. Wang and D. Babikov, “Adiabatic coherent control in the anharmonic ion trap:
Proposal for the vibrational two-qubit system”. Phys. Rev. A, 83, 052319 (2011).
7. L. Wang and D. Babikov, “Adiabatic coherent control in the anharmonic ion trap:
Numerical analysis of vibrational anharmonicities”. Phys. Rev. A, 83, 022305 (2011).
8. X. Y. Miao, L. Wang, L. Yao, and H. S. Song, “Theoretical investigation of
femtosecond-resolved photoelectron spectrum of Na2 molecules”. Chinese Physics
Letter (CPL), 24, 2815 (2007).
9. X. Y. Miao, L. Wang, L. Yao, and H. S. Song, “Theoretical study of the
femtosecond-resolved photoelectron spectrum of the I2
-
anion”. Chem. Phys. Lett.,

3. 433, 28 (2006).
 Presentation
Invited/Contributed Talk:
1. L. Wang, J. W. Mazzuca, S. Garashchuk and J. Jakowski, “The Hybrid Quantum
Trajectory/Electronic Structure DFTB-Based Approach to Molecular Dynamics”,
presented at the XSEDE14 Conference, July 13-18, 2014, Atlanta, Georgia.
2. L. Wang, S. Garashchuk and J. Jakowski, “A Quantum Trajectory-Electronic
Structure Approach for Exploring Nuclear Effects in Dynamics of a Hydrogen Atom
interacting with a Graphene Flake”, presented at the 2014 Southeast Theoretical
Chemistry Association Annual Meeting (SETCA), Emory University, May 15-17,
2014, Atlanta, Georgia.
Poster:
1. L. Wang, S. Garashchuk, J. Jakowski, B. G. Sumpter, “Adsorption of a hydrogen
atom on a graphene flake examined with a Quantum Trajectory/Electronic Structure
dynamics”, presented at the 2014 Center for Nanophase Materials Sciences (CNMS)
User Meeting, Oak Ridge National Laboratory, September 16-17, 2014, Oak Ridge,
Tennessee.
2. L. Wang, S. Garashchuk and J. Jakowski, “Incorporation of nuclear quantum effects
into trajectory dynamics: the Quantum Trajectory/Density Functional Tight Binding
approach”, presented at the 2013 Southeast Theoretical Chemistry Association
Annual Meeting (SETCA), Auburn University, May 9-11, 2013, Auburn, Alabama.
3. L. Wang and D. Babikov, “Coherent and Optimal Control of Adiabatic Motion of
Ions in a Trap”, presented at the 44th Midwest Theoretical Chemistry Conference,
University of Wisconsin-Madison, Jun 7-9, 2012, Madison, Wisconsin.
4. L. Wang and D. Babikov, “Coherent and Optimal Control of Adiabatic Motion of
Ions in a Trap”, presented at the 3rd
Annual Social and Poster Presentation, supported
by The Milwaukee section of the American Chemical Society’s Younger Chemists
Committee, Nov 4, 2011, Milwaukee, Wisconsin.
5. L. Wang and D. Babikov, “Computational Study of Vibrational Qubits in
Anharmonic Linear Ion Traps”, presented at the Chemistry open house, October 18,
2011, Milwaukee, Wisconsin.
6. L. Wang and D. Babikov, “Coherent and Optimal Control of Adiabatic Motion of
ions in a Trap”, presented at the Computation and Modeling workshop hold by MSCS
of Marquette University, April 29, 2009, Milwaukee, Wisconsin.
7. L. Wang and D. Babikov, “Coherent and Optimal Control of Adiabatic Motion of
Ions in a Trap”, presented at American Conference on Theoretical Chemistry, July
19-24, 2008, Evanston, Illinois.
 Honors and Activities
1. Member of Chinese soccer team (Chinese Dragon) at University of South Carolina.
2. 2011, Badminton second place at Marquette University tournament.
3. Member of Safety Committee of Chemistry Department at Marquette University.
4. Member of one soccer team (Glamour boys) of Marquette intramural soccer match.
5. 2003, the Second Prize of the fourth “Pandeng Cup” Extracurricular Academic and
Technical Competition (a mathematical modeling competition) of DUT.
6. 2002, merit member of DUT.

4. 7. The Fourth prize of calligraphy competition in China.
 Professional Development
1. Python training Workshop, University of South Carolina, Feb 24th
and 25th
, 2014,
Columbia, SC.
2. XSEDE HPC Monthly Workshop – MPI, University of South Carolina, Dec 4th
and
5th
, 2013, Columbia, SC.
3. Computational Chemistry Workshop (organizer Dr. Vitaly Rassolov), University of
South Carolina, Sep 8th
, 2012, Columbia, SC.
 Teaching Experience
General Chemistry lab for Undergraduate Chemistry Course (Lab Teaching Assistant) at
Marquette University
 Other Skills
Language: Chinese-Mandarin (native), English (fluent), Japanese (intermediate)
Arts: Chinese Calligraphy (Calligraphy Competition National 4th
place)
RELEVANT SKILLS AND EXPERIENCE IN DETAIL
Post Doctorate
In my post doctorate period, I work in the area of quantum trajectories (QT)
where quantum nuclear effects are included into the dynamics of the nuclei via a quantum
correction to the classical forces, which is called “quantum” potential in addition to
“classical” potential. Within this method, the time-dependent schrödinger equation is
recast in terms of wavefunction amplitude and phase so that the nuclear wavefunction can
be discretized into an ensemble of trajectories with an electronic structure (ES), namely
using Density Functional Tight Binding (DFTB), description of the electrons. To reduce
computational cost and increase numerical accuracy, the quantum corrections to
dynamics resulting from localization of the nuclear wavefunction are computed
approximately based on the theory of linear quantum force (LQF) which is developed by
Dr. Garashchuk and included for selected degrees of freedom representing light particles
where the quantum effects are expected to be the most pronounced. Massively parallel
implementation based on the Message Passing Interface (MPI) allows for efficient
simulations of ensembles with thousands of trajectories at once. The QTES-DFTB
dynamics approach is employed to study the role of quantum nuclear effects on
interaction of hydrogen with a model graphene sheet, revealing that localization of the
proton wavefunction and the details of the quantum/classical mixing of the light and
heavy nuclei greatly affect the adsorption probabilities.
Doctor Degree
In my Ph.D program, I focused on the study of anharmonicity of the quantized
motional states of ions in a Paul trap which could be utilized to address the state-to-state
transitions selectively and control the motional modes of trapped ions coherently and
adiabatically. I studied two sources of the vibrational anharmonicity in the ion traps: the
intrinsic Coulomb anharmonicity due to ion-ion interactions and the external
anharmonicity of the trapping potential. Magnitude of the Coulomb anharmonicity was
determined and shown to be insufficient for the successful control. Then a trap
architecture that allowed achieving the necessary amount of vibrational anharmonicity
was explored. An accurate numerical approach was used to compute energies and

5. wavefunctions of vibrational eigenstates and I successfully encoded a multi-qubit system
into the quantized motional/vibrational states of ion-string in this anharmonic linear trap.
Control over this system was achieved by applying oscillatory radio-frequency (RF)
electric fields shaped optimally for desired state-to-state transitions. The optimal control
theory was used to derive pulses for a set of universal quantum gates.
Then I explored some property of the control over quantum circuit. It was
demonstrated theoretically that it may be possible to encode states of a multi-qubit
system into the progression of quantized motional/vibrational levels of ion trapped in a
weakly anharmonic potential. Optimal control theory was used to derive pulse for
implementing the four-qubit version of Shor’s algorithm in a single step. Anharmonicity
of the vibrational spectrum played a key role in this approach to the control and quantum
computation, since it allowed resolving different state-to-state transitions and addressing
them selectively. Acuracy of the qubit-state transformations, reached in the
computational experiments, was around 0.999.
Masters Degree
In the first year of my master’s period, I majored in Quantum Information in
theoretical physics and took the required courses for this research topic. In my second
year, however, I transferred to the area of Molecular Reaction Dynamics through the
cooperation between my group and the group of Dr. Han in Dalian Institute of Chemical
Physics. I studied the necessary theory by myself and focused on the research of
calculation of the time-resolved photoelectron spectrum of diatomic molecules (Na2 and
I2
-
) with the time-dependent wave-packet method.
Undergraduate
In the first two years of my undergraduate, I learned all of the core concepts of
physics including mechanics, thermodynamics, optics, electrics, etc. To facilitate the
study of physics, I learned advanced mathematics (such as calculus), linear algebra and
mathematical methods of physics. During my junior and senior years, these were
extended to theoretical mechanics, thermodynamics and statistics, laser, semiconductor
science and electrotechnics. Quantum mechanics and electrodynamics were also required
because of the research reason.
Experience of computer science
Computer is a very powerful tool in modern scientific research, basic
programming skill in languages such as C, FORTRAN and Visual Basic was learnt
during my undergraduate. In my further training, coding in Fortran language was an
important part of my daily work. The code to implement my research during the Ph.D
period was mostly written by myself. I also optimized the old version of code in my
group to achieve multiple scientific goals, facillitate the running and save computing time.
Some programming skills and mathimatical methods were learnt as the research work
went further: Python was used during my postdoctoral period. Message Passing
Interferance (MPI) and Open MP were applied to high-performance computing through
massively parallel implementation of the code in FORTRAN. Split operator method was
used to solve the time-dependent schrödinger equation. Gaussian Quadrature Method was
introduced instead of Equally Spaced Abscissas Method to calculate the integral. Newton
Raphson Minimization Method was used to localize the equalibrium positions and find
out the minimal ennergy of ions in a Paul trap. Meanwhile, I am experienced in many
chemistry softwares: for example, Q-Chem and Spartan were used to predict the

6. Contact Information
4017 NE 88th
street, Seattle, WA, 98115
Cell: (414) 510-2459 email: wangl67@uw.edu
molecular structure and calculate chemical properties. VMD was used to animate and
analyze the trajectory of a dynamics simulation. To run the job, I used the Linux system
“Jacquard”, then “Franklin” and “hopper” from the National Energy Research Scientific
Computing Center (NERSC) at Lawrence Berkeley National Laboratory (LBNL) during
my Ph.D. I switched to Massively-parallel supercomputers on Kraken/Darter at National
Institute for Computational Sciences (NICS) and University of South Carolina (USC)
HPC cluster in my post doctorate period.