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Work and Research Experience
Post-Doctoral Research Fellow (current) Durham University, Department of Chemistry, United Kingdom: Theoretical calculations on forming cold polar molecules with magnetic fields; Modeling of chemical reactions; High-Performance Computing and Optimization
Doctoral Research, University of Oklahoma: Three-body collision-induced dissociation theory
Master’s of Science, University of Oklahoma: Quantum geometric phase effects in chemical reactions
Undergraduate Research: Ab-initio electronic structure calculations of molecular potential energy surfaces; design and build of laboratory electronics
University of Oklahoma: Education & Research
Doctorate of Philosophy (2010) Quantum Reactive Scattering Theory: Collision Induced Dissociation
Master of Science (2005) Quantum Geometric Phase effects
Bachelor of Science in Physics, Math Minor (2002) Molecular Structure Spin-Orbit Coupling effects in electronic structure
Research Experience for Undergrads (REU) Program (2000) – Monte Carlo scattering simulations, statistical modeling
Skills – Extensive experience and education in classical mechanics, quantum mechanics, electrodynamics, statistical mechanics, thermodynamics, spectroscopy, group theory, linear algebra, differential equations, number theory, cryptography, statistical analysis, data analysis, electronics (practice and theory)
Teaching – In addition to occasionally covering course classes from intro level to graduate: 2004 Teaching Assistant OU Physics Electronics Lab: circuitry (theory, design, and hands-on building), signal processing and analysis, measurement techniques
2009 Assisted instruction and produced materials and code examples of algorithms for graduate course in computational physics
Computation Experience & Skills
Administration Experience
RedHat Certified Technician (RHCT) 2007
2003-Present, Administered 20+ node RedHat Linux cluster for scientific computing
Clustered RedHat systems in parallel with Intel’s MPI implementation
Network services: NFS, NIS, sshd, autofs, http/https, ftp, rsync, Samba
Programming/Computational Experience
Languages: FORTRAN, Python, Mathematica, Subversion, Git, LATEX, C, Perl, HTML, PHP, LabVIEW
Computation: Parallelization, Numerical Analysis, Complexity Theory, Optimization, and Debugging
Miscellaneous: Coded numerical algorithms and libraries for solving mathematical and physical problems, including Finite Element Methods (FEM), Discrete Variable Representation (DVR),
Distributed
Approximating Functionals (DAF), Numerov, Arnoldi, Lanczos, and Sylvester algorithms
Extracurricular & Interests
Graduate Student Senate (2006) Senator
OU Poetry Society (1999) Vice-President
Society of Physics Students (SPS) – Ongoing Membership
Philosophy of Science – Under-appreciated by many modern scientists, understanding historical perspectives and interpretations of natural science helps current researchers interpret what science produces today
Publications
Magnetically tunable Feshbach resonances in ultracold Li-Yb mixtures Daniel A. Brue and Jeremy M. Hutson submitted, arXiv 1108.1827
Simultaneous bridge-localized and mixed-valence character in diruthenium radical cations featuring diethyny-laromatic bridging ligands. Mark Fox, Boris Le Guennic, Rachel Roberts, Daniel Brue, Dmitry Yu_t, Judith Howard, Gabriele Manca, Jean-Francois Halet, Frantisek Hartl, Paul Low. Journal of the American Chemical Society submitted (2011)
Geometric phase for collinear conical intersections: I. Geometric phase angle. Xuan Li, Daniel A. Brue, Brian Kendrick, Juan Blandon, and Gregory A. Parker. Journal of Chemical Physics, 134, 9, 064108 (2011)
Quantum Reactive Scattering Theory: Collision Induced Dissociation Daniel A. Brue. Doctoral Dissertation, University of Oklahoma. (2010)
Potential energy surfaces for the 14A0, 24A0, 14A00 24A00 states of Li3. Xuan Li, Daniel A. Brue, and Gregory A. Parker. Journal of Chemical Physics, 129, 12, 124305 (2008)
New method for calculating bound states: The A1 states of Li3 on the spin-aligned Li3 (4A0) potential energy surface. Xuan Li, Daniel A. Brue, and Gregory A. Parker. Journal of Chemical Physics 127, 1, 014108 (2007)
Conical intersection between the lowest spin-aligned Li3
4A0 potential-energy surfaces. Daniel A. Brue, Xuan Li, and Gregory A. Parker. Journal of Chemical Physics, 123, 9, 091101 (2005)
