Michael provides technical analysis on chemistry and software related patent applications.
Michael prepares and prosecutes patent applications in the areas of nanomaterials, methods and compositions, laser devices, catalytic combustion apparatus, infrared detectors, and computer software.
- Development of theoretical and computational methods for the accurate treatment of electron-hole and electron-electron correlation for predicting and understanding optical properties in nanomaterials such as quantum dots for solar cell application.
- Interest in Green Chemistry principles by focusing on alternative energy such as solar cells to reduce dependence on fossil fuels.
- Research centered around using the explicitly correlated geminal operator to treat correlation and use of second quantization and diagrammatic notation in theoretical development.
- Development of a stratified sampling Monte Carlo method to directly calculate molecular integrals and bypass the atomic orbital to molecular orbital transformation.
Areas of Proficiency
- Method development and applications in the following areas:
- Algorithm development for improving speed and sustainability of codes
- Experience working with, processing, and statistically analyzing data from results of calculations
- Strong programming and math background used to solve difficult problems
- Development and maintenance of large scale codes for ccientific computing, languages Include:
- Fortran 90, Fortran 77 (libraries: Lapack, Blas)
- Python 3.0 (libraries: NumPy)
- Microsoft Word, Excel, PowerPoint
- Bash scripting
- Proficiency in running calculations with ab initio quantum chemistry software packages:
- Gaussian 09 software
- GAMESS software
- Knowledge of multiple computing platforms including:
- Experience running calculations of supercomputer systems, including experience with:
- XSEDE interface and allocation
- Stampede supercomputer, Texas advanced Computing Center
- Proficiency in document preparation with tex/latex:
- Preparing articles for journal submission
- Scientific/technical writing experience
- Ability to perform in depth literature reviews on scientific and technical topics
- Co-Presenter, Development of the explicitly correlated congruent transformed Hamiltonian, Session J25, Explicitly correlated Methods and Quantum Few-Body Systems, American Physical Society March Meeting, March 2013, Baltimore, MD.
- Co-Presenter, Development of the explicitly correlated pair theory using integral R12-operator for accurate description of electron-electron correlation, Session COMP: Quantum Chemistry, American Chemical Society Fall Meeting, Aug. 2015, Boston, MA.
- Co-Presenter, Configuration interaction geminal screening on ground state excited state energies for 10 electron systems and carbon dimer, Session PHYS: Poster Session, American Chemical Society Fall Meeting, Aug. 2015, Boston, MA.
- Co-Presenter, Non-perturbative diagrammatic calculation of ionization potential using R12-correlator operator, Session PHYS: Towards Predictive Calculations in Strongly Correlated Molecules and Materials, American Chemical Society Spring Meeting, March 2016, San Diego, CA.
- Co-Presenter, Diagrammatic screening approach to configuration interaction calculations, Session COMP: Quantum Mechanics, American Chemical Society Spring Meeting, March 2016, San Diego, CA.
- Co-Presenter, Linked-Cluster formulation of screened electron-hole interaction from explicitly correlated geminal functions without using unoccupied states. Session: Many-body Perturbation Theory, Random Phase Approximation and Beyond, American Chemical Society Fall Meeting, Aug. 2017, Washington D.C.
- Co-Author, Infinite-order diagrammatic summation approach to the explicitly correlated congruent transformed Hamiltonian Physical Reviews A 89, 032515 (2014).
- Co-Author, Construction of explicitly correlated geminal-projected
- particle-hole creation operators for many-electron systems using the diagrammatic factorization approach, Physical Reviews A 94, 052504 (2016).
- Co-Author, Linked-cluster formulation of screened electron-hole interaction
- kernel in real-space representation without using unoccupied states. Journal of Chemical Theory and Computation. 14, 7, 3656-3666 (2018).
- Co-Author, Derviation of time-dependent transition probability for 2e-2h generation from a 1e-1h state in the presence of an external electric field. arXiv:1704.02428 [physics.chem-ph] (2017).
- Co-Author, Development of effective stochastic potential method using random matrix theory for efficient conformational sampling of molecular quantum mechanical properties at non-zero temperatures. Journal of Chemical Physics. 149, 014103 (2018).
- Co-Author, Development of composite control-variate stratifed sampling approach for efficient stochastic calculation of molecular integrals. Under review at Journal of Chemical Physics.