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Professional Experience

2011 – Present
NATIONAL INSTITUTE OF STANDARDS & TECHNOLOGY, Gaithersburg, MD
Visiting Senior Scientist, Materials Measurement Laboratory

2010 – Present
KENT STATE UNIVERSITY, ����ֱ��, OH
Assistant Professor, Center for Materials Informatics

Work on materials research, education and informatics.

2009 – 2010
KENT STATE UNIVERSITY, ����ֱ��, OH
Post-Doc Associate, Center for Materials Informatics

Worked in collaboration with researchers and faculty at the NIST, Purdue University, Texas A&M, Rensselaer Polytechnic Institute, and Opennovation on the development of two computational materials research code projects and the transformation of these research codes into modules suitable for effective use in undergraduate education. Collaborated with researchers from various backgrounds, such as information science, physics, materials science and engineering, civil engineering and mechanical engineering on materials-related projects; Contributed to advancement of materials informatics solutions through joint efforts involving domain expertise and information science.

• Provided expertise and assistance on open source computational materials code development.
• Studied graphene-based materials and their applications using numerous modeling techniques.
• Developed materials failure case studies teaming civil engineering, materials science and engineering, and mechanical engineering.
• Utilized and promote the use of current best practices in data management, standards, and exchange to help accelerate materials research and education.
• Participated in proposal writing.
• Produced classroom ready teaching resources to positively impact undergraduate learning and integrate research into education.
• Organized and chair roundtables, workshops and symposiums for computational materials research and education.

2005 – Present
TOYO UNIVERSITY, Tokyo, Japan
Senior Collaborator, Bio-Nano Electronic Research Center

Devised and implemented quantum codes on high-performance super-computers and ran simulations of nano-scaled structures. Supervised and trained students in regards to quantum computing. Collaborated with researchers on bio-nano electronic projects; analyzed and presented research and findings. Maintained laboratory computers.

• Wrote and installed programs resulting in improved quantum code performance.
• Spearheaded research into interaction of metal and carbon materials.
• Enhanced long-term collaboration between Toyo University and the University of Cambridge.

2007 – 2009
UNIVERSITY OF FLORIDA, Gainesville, FL
Post-Doc Associate, Department of Physics

Did research under the supervision of Professor Hai-Ping Cheng on the US Department of Energy-funded and Laser Interferometer Gravitational Wave Observatory-funded projects investigating new nano-scaled materials and renewable energy sources.

• Utilized first-principles calculations based on density functional theory in investigation of structure and electronic and magnetic properties of metal-fullerene nano-systems, hydrogen-storage materials, and metal oxide thin films.
• Leverage extensive knowledge of nano-materials, quantum simulations, and quantum computing throughout research projects.

4/2006 – 10/2006
UNIVERSITY OF CAMBRIDGE, Cambridge, UK
Teaching Assistant, Department of Engineering

Instructed and tutored graduate students in quantum computing and density-functional calculations. Charged with porting and building quantum molecular software for clusters. Maintained and utilized high-performance super-computers.

Additional Experience

1/2005 – 1/2006
JASANI & CO., CHARTERED ACCOUNTANTS, Cambridge, UK
Computer Technician

Served in technical management role and provided broad-ranging assistance to firm, including translating between English and Chinese. Interacted with clients and tax officers. Trained team members on a variety of software programs.

• Expertly updated database application to improve functionality.

6/2002 – 10/2002
EASTCOM INFORMATION TECHNOLOGY CO., LTD., Shenzhen, China
Engineering Assistant

Collaborated with Engineers and assisted with technical projects. Communicated with clients and prepared detailed project reports.

7/2000 – 10/2000
WAN-LAN COMMUNICATIONS & COMPUTER NETWORK CO., LTD., Shenzhen, China
Engineering Assistant

Provided assistance to senior engineers implementing and supporting communication networks. Assisted clients in resolution of technical issues.

6/2001 – 9/2001
GOLDEN TRAVEL AGENCY, Preston, UK
Sales Representative

Interfaced with potential clients to promote agency packages and generate interest. Reported results to senior management. Gained valuable experience in problem resolution.

Research Accomplishments

1/2009 – Present
Programming

• Develop FiPy — a differential equation solver, written in Python, mainly used in materials science continuum modeling.
• Administer and develop Gibbs — a multi-physics thermodynamics calculation and visualization suite.
• Develop Python wrapper for Ternary - a free energy visualization tool.
• Collaborate with researchers and educators in computational materials science and information science to integrate laboratory workflow into an informatics framework.

07/2009 - Present
Multi-scale modeling and simulations

• Collaborate with chemical physicists and study curved graphene by combining first-principles quantum simulations, classical simulations and continuum elastic theory.
• Implement a virtual workspace to facilitate the exchange of research results between collaborators using different scale simulations.

6/2002 – 1/2009
Quantum modeling and simulations

• Worked with Metal-C60 interface, Hydrogen storage materials, metal oxide thin films, metals and alloys.
• Researched electron transport in nano-scaled materials.
• Identified point defects in graphite.
• Studied growth mechanism of carbon nanotubes.

10/1998 – 10/2002
Laboratory research

• Designed IC and electronic circuits.
• Performed Gallium arsenide processing and device measurement.
• Fabricated and characterized a-Si:H thin-film transistors.

Selected Publications

• Li, Lan, Wu, Y. N., and Cheng, H. P., " First-principles calculations of Fe-doped C60 on h-BN/Ni(111) surface”, Journal of Chemical Physics, 132, 074702 (2010).
• Li, Lan, Reich, S., and Robertson, J., “Ab-initio simulations of nucleation of single-walled carbon nanotubes,” Solid State Phenomena, Volume 121-123, Number 1037, 2007.
• Li, Lan, Reich, S., and Robertson, J., “Epitaxial growth of carbon caps on Ni for chiral selectivity,” Physica Status Solidi, Volume 243, Number 3494, 2006.
• Li, Lan, Reich, S., and Robertson, J., “Modeling the nucleation and chirality selection of carbon nanotubes,” Journal of Nanoscience and nanotechnology, Volume 6, Number 1290, 2006.
• Li, Lan, Reich, S., and Robertson, J., “Control the chirality of carbon nanotubes by epitaxial growth,” Chemical Physics Letter, Volume 421, Number 469, 2006.
• Li, Lan, Reich, S., and Robertson, J., “Defect energies of graphite: Density-functional calculations,” Physical Review B, Volume 72, Number 184109, 2005.
• Reich, S., Li, Lan, and Robertson, J, “Structure and formation energy of carbon nanotube caps,” Physical Review B, Volume 72, Number 165423, 2005.

Selected Presentations

• Li, L., Geng, J., Bartolo, L., and Selinger, J. V., “Theoretical Studies of Topological Defects in Graphene”, Materials Research Society (MRS) Meeting, Apr 2010.
• Li, L., Co-organizer of Roundtable on Integrated Computational Materials Research and Education, The Minerals, Metals and Materials Society (TMS) Annual Meeting, Feb 2010.
• Li, L., Stanley, D.M. and Bartolo, L.M., “MatForge: Collaborative computational research & education,” The Minerals, Metals and Materials Society (TMS) Annual Meeting, Feb 2010.
• Li, L., Co-Chair of Symposium on Phase Stability, Diffusion Kinetics and Their Applications (PSDK-IV): Joint Session with Discovery and Optimization of Materials through Computational Design: Thermodynamics and Phase Stability III, Materials Science & Technology (MS&T) Meeting, Oct 2009.
• Li, L., Bartolo, L., Garcia, R. E., Powell IV, A. C., Arroyave R., Guyer J. E., Wheeler, D., Warren, J. A., “Matforge and collaborative code development”, Gorden Research Conference, Aug 2009.
• Li, L., Co-organizer and Chair of KSU Science Symposium, May 2009.
• Li, L., “First-principles simulations of nanomaterials,” KSU Science Symposium, May 2009.
• Li, L., and Cheng, H. P., “Simulation of Fen-doped C60 monolayer on h-BN/Ni (111),” American Physics Society (APS) Meeting, Mar 2009.
• Li, L., and Cheng, H. P., “Ab-initio investigations of Pd-C60 interface,” American Physics Society (APS) Meeting, Mar 2008.
• Li, L., and Cheng, H. P., “Mechanical properties of Ta2O5,” University of Florida Departmental Seminar, 2008.
• Li, L., and Cheng, H. P., “Electronic and magnetic properties of Fe/Au-doped C60 monolayer,” Florida Society of Materials Simulations Meeting, Tampa, FL, Jul 2007.
• Li, L., “Hydrogenation and dehydrogenation of C60,” University of Florida Departmental Seminar, 2007.
• Li, L., “Wavefunction optimization at VASP,” University of Florida Departmental Seminar, 2007.
• Li, L., “Elemental-carbon materials: graphite, C60 fullerene and carbon nanotubes,” University of Florida Departmental Seminar, 2007.
• Li, L., “Single-walled carbon nanotubes,” Academic Institute Seminar, China, 2006.
• Li, L., “Interaction of Fe and C60,” Toyo University Departmental Seminar, Japan, 2006.
• Li, L., Reich, S., and Robertson, J., “Chirality control of single-walled carbon nanotubes,” 2nd International Symposium on Bioscience and Nanotechnology, Japan, 2005.
• Li, L., “Synthesis of carbon nanotubes,” ChinaNano 2005 Conference, China, 2005.
• Li, L., Reich, S., and Robertson, J., “Ab-initio simulations of growth mechanisms of carbon nanotubes,” Material Research Society (MRS) Meeting, Mar 2005.
• Li, L., “Simulation of scooter growth mechanism of carbon nanotubes,” Academic Seminar, Advanced and new Electronic Materials, 2004.

Languages and Technologies

• English, Mandarin, Cantonese, and Japanese
• UNIX, Linux RedHat, Windows, Macintosh, Microsoft Office, Email, Internet, Adobe Photoshop, Graphics-Processing, Matlab, Origin 7.0, MPI, VASP, CASTEP, Gaussian, SIESTA, Materials Studio, VMD, OpenDX, Cerius2, Molekel, Fortran 90, C, C++, Python