Yuxiang Mo, Ph.D.
Leading-edge Scientist in Physics, Chemistry, Materials Science & Engineering, and Nanotechnology
Philadelphia, PA 19144 ￨ (816) 812-1014 ￨ [email protected]
Qualifications for Physicist and Materials Engineer
Highly Accomplished Ph.D. in Physics Graduate who excels in driving results-focused research to align with a targeted project’s vision and goals while contributing a solid understanding of Physics, Chemistry, Materials Science & Engineering, Nanotechnology, Optics, Semiconductors, Ceramics, and Metals. Influential Strategist who offers an Ivy League research background, as well as experience working on a high-value U.S. Department of Energy project. Top Performer who has proactively researched properties of materials by evaluating quantum mechanical wave functions and electron distribution of constituent atoms. Insightful Researcher who uncovers structural, electronic, optical, and mechanical properties of industrially critical nanolaminated materials.
Education & Technical Summary
Ph.D., Physics (co-discipline: Chemistry) University of Missouri – Kansas City
M.S., Physics University of Missouri – Kansas City
B.Eng., Materials Chemistry University of Science & Technology Beijing
Microsoft Office Suite (Word, Excel, PowerPoint)
MATLAB ￨ Mathematica ￨ Origin ￨ C ￨ Fortran ￨ Python ￨ SQL ￨ Unix ￨Code Development
Assistant Professor (Research) Temple University, Philadelphia, PA 2015 – 2017
Postdoctoral Researcher University of Pennsylvania, Philadelphia, PA 2014 – 2015
Graduate Research Assistant, University of Missouri-Kansas City, Kansas City, MO 2011 – 2014
Skillfully managed multiple complex research projects, including conceiving, planning, and executing targeted research, as well as analyzing and presenting results. Researched layered ternary transition-metal carbides and nitrides (known as MAX phases) to ultimately receive exemplary international recognition. Solved the mystery of chemical bonding which had long baffled scientists and engineers who consider MAX phases excellent candidate materials for electrodes, capacitors, heat exchangers, jet-engine components, coating materials on gas/steam turbine blades, projectile proof armor, biocompatible materials, and many more. Innovatively designed new materials based on patterns of MAX phases while no other scientists in the world had noticed such opportunities. Investigated energy band structures of pristine and modified semiconductors for photovoltaic and photo-catalytic applications.
Electronic, Optical, Structural, and Mechanical Properties of Layered Trnary Transition-Metal Carbides and Nitrides
Actively conducted doctoral research focused on electronic, optical, structural, and mechanical properties of MAX phases that combine metallic, covalent, and ionic bonds among the composing atoms. MAX phases are nanolaminated materials which possess a novel combination of metal and ceramic-like properties; are good conductors of heat and electricity; are lightweight, stiff, refractory, and easily machinable; and can tolerate internal defects, external damages, thermal shocks, and high-temperature oxidation. Research involved the study of 20 known MAX phases and innovative design of a new class of crystalline materials with enhanced thermal stability and mechanical strength in comparison with solid-solution allotropes. Evaluated properties include density of states, band structure, charge transfer, bond order, interband optical conductivity, crystal structure, and elastic properties.
New Exchange-Correlation Density Functional for Molecules and Solids
Played a vital role in the testing and application of new exchange-correlation functionals at the level of meta-GGA (meta-generalized gradient approximations). Programmed new exchange-correlation functionals into source code of Gaussian. Handled calculations of various properties (i.e. atomization energies, electron affinity, bond lengths, hydrogen bonds, lattice constants) of atomic, molecular, and solid-state systems to evaluate functionals and modify parameters of functionals for better balance and accuracy. Applied final form of the functional Tao-Mo meta-GGA to study materials for specific use cases. Tao-Mo meta-GGA exchange-correlation functional is commercially available in Q-Chem 5.0.
Yuxiang Mo, Ph.D. ￨ Page Two ￨ (816) 812-1014
Journal Publications & Conference Contributions
- Tian, Y. Mo, and J. Tao, “Accurate excitation energies of molecules and oligomers from a semilocal density functional”, Journal of Chemical Physics, 146 234102 (2017).
- Mo, G. Tian, and J. Tao, “Comparative study of semilocal density functionals on solids and surfaces”, Chemical Physics Letters, 682 38 (2017).
- Mo, R. Car, V. N. Staroverov, G. E. Scuseria, and J. Tao, “Assessment of the Tao-Mo nonempirical semilocal density functional in applications to solids and surfaces”, Physical Review B, 95  035118 (2017).
- Tian, Y. Mo, and J. Tao, “Energetic Study of Clusters and Reaction Barrier Heights from Efficient Semilocal Density Functionals”, Computation, 5  27 (2017).
- Mo, G. Tian, and J. Tao, “Performance of a nonempirical exchange functional from the density matrix expansion: comparative study with different correlation”, Physical Chemistry Chemical Physics, 19 21707 (2017).
- Mo, G. Tian, R. Car, V. N. Staroverov, G. E. Scuseria, and J. Tao, “Performance of a Nonempirical Density Functional on Molecules and Hydrogen-Bonded Complexes”, Journal of Chemical Physics, 145 234306 (2016).
- Tao and Y. Mo, “Accurate semilocal density functional for condensed-matter physics and quantum chemistry”, Physical Review Letters, 117  073001 (2016).
- Tao, Y. Mo, G. Tian, and A. Ruzsinszky, “Accurate van der Waals coefficients between fullerenes and fullerene-alkali atoms and clusters: Modified single-frequency approximation”, Physical Review B, 94  085126 (2016).
- Mo, S. Aryal, P. Rulis, and W. Y. Ching, “Crystal Structure and Elastic Properties of Hypothesized MAX Phase-like Compound (Cr2Hf)2Al3C3“, Journal of the American Ceramic Society, 97 2646 (2014).
- Wang, Y. Mo, P. Rulis, and W. Y. Ching, “Spectroscopic properties of crystalline elemental boron and the implications on B11C-CBC”, RSC Advances (Royal Society of Chemistry), 3 25374 (2013).
- Y. Ching, Y. Mo, S. Aryal, and P. Rulis, “Intrinsic Mechanical Properties of 20 MAX-Phase Compounds”, Journal of the American Ceramic Society, 96 2292 (2013).
- Y. Mo, P. Rulis, and W. Y. Ching, “Electronic structure and optical conductivities of 20 MAX-phase compounds”, Physical Review B, 86  165122 (2012).
- Tao, G. Tian, and Y. Mo, “Semilocal Density Functional with High Accuracy for Molecules and Solids”, APS March Meeting, American Physical Society (2017).
- Tian, Y. Mo, and J. Tao, “Accurate Excitation Energy, Reaction Barrier Height, and Enthalpy of Reaction from Semilocal Density Functionals”, EMN meeting on Computation and Theory (2016).
- Mo and J. Tao, “Assessment of a New Semilocal Density Functional on Molecules and Solids”, APS March Meeting, American Physical Society (2016).
- Tao and Y. Mo, “An Accurate Density Functional from Exchange-Correlation Hole”, APS March Meeting, American Physical Society (2016).
- Mo, J. Tao, and A. M. Rappe, “Density Functional Theory for Molecules and Solids: Meta-Generalized Gradient Approximation”, Quantum Theory and Multi-Scale Modeling for Energy Applications (2015).
- Mo, S. Aryal, P. Rulis, and W. Y. Ching, “Crystal Structure and Elastic Properties of MAX-like (Cr2Hf)2Al3C3“, 57th Midwest Solid State Conference (2013).
- Y. Ching, Y. Mo, P. Rulis, and L. Ouyang, “Electronic structure and mechanical properties of 20 MAX phase compounds”, 26th Annual Conference on Fossil Energy Materials, National Energy Technology Laboratory, US Department of Energy (2012).
- Mo, P. Rulis, and W. Y. Ching, “Electronic structure and interband optical properties of 20 MAX phase compounds”, 36th International Conference & Exposition on Advanced Ceramics & Composites, American Ceramic Society (2012).
- Y. Ching, P. Rulis, S. Aryal, Y. Mo, and L. Ouyang, “Large-scale simulations of the mechanical properties of layered transition metal compounds for fossil energy power systems”, 25th Annual Conference on Fossil Energy Materials, National Energy Technology Laboratory, US Department of Energy (2011).
- Mo, P. Rulis, and W. Y. Ching, “Ab initio calculation of electrical conductivity in metals”, 35th International Conference & Exposition on Advanced Ceramics & Composites, American Ceramic Society (2011).
- Mo, P. Rulis, and W. Y. Ching, “Optical properties of MAX phases: Ti2AlC, Ti3AlC2, Ti3SiC2, and Ti3GeC2“, 34th International Conference & Exposition on Advanced Ceramics & Composites, American Ceramic Society (2010).
- “Illuminating a better way to calculate excitation energy”, ScienceDaily, 2017.
- “Crystal Structure and Elastic Properties of Hypothesized MAX Phase-Like Compound (Cr2Hf)2Al3C3” featured as “Key Scientific Article contributing to excellence in engineering, scientific and industrial research” (selectivity of 0.1% worldwide) by Advances in Engineering, Canada, 2015.