DeCarlos E. Taylor, Ph.D.
Affiliations: | 2004 | University of Florida, Gainesville, Gainesville, FL, United States |
Area:
Physical ChemistryGoogle:
"DeCarlos Taylor"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Rodney J. Bartlett | grad student | 2004 | UF Gainesville | |
| (The transfer Hamiltonian: A tool for large scale, accurate, molecular dynamics simulations using quantum mechanical potentials.) | ||||
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Publications
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| Beste A, Taylor DE, Shih TM, et al. (2018) Mechanisms of acetylcholinesterase protection against sarin and soman by adenosine A receptor agonist N-cyclopentyladenosine. Computational Biology and Chemistry. 75: 74-81 |
| Beste A, Taylor DE, Golter DA, et al. (2018) Charge state switching of the divacancy defect in 4H -SiC Physical Review B. 98 |
| Taylor DE, Sausa RC. (2018) Experimental and theoretical studies of the crystal structures of bis-isoxazole-bis-methylene dinitrate (BIDN) and bis-isoxazole tetramethylene tetranitrate (BITN) by x-ray crystallography and density functional theory Journal of Molecular Structure. 1162: 45-53 |
| Taylor DE. (2017) Molecular dynamics simulation of the Hugoniot states of boron suboxide Materials Letters. 188: 331-333 |
| Taylor DE, Ángyán JG, Galli G, et al. (2016) Blind test of density-functional-based methods on intermolecular interaction energies. The Journal of Chemical Physics. 145: 124105 |
| Moore JD, Barnes BC, Izvekov S, et al. (2016) A coarse-grain force field for RDX: Density dependent and energy conserving. The Journal of Chemical Physics. 144: 104501 |
| Taylor DE. (2015) Shock Compression of Boron Carbide: A Quantum Mechanical Analysis Journal of the American Ceramic Society. 98: 3308-3318 |
| Taylor DE, Strawhecker KE, Shanholtz ER, et al. (2014) Investigations of the intermolecular forces between RDX and polyethylene by force-distance spectroscopy and molecular dynamics simulations. The Journal of Physical Chemistry. A. 118: 5083-97 |
| Batyrev IG, Taylor DE, Gazonas GA, et al. (2014) Density functional theory and evolution algorithm calculations of elastic properties of AlON Journal of Applied Physics. 115 |
| Taylor DE. (2013) Intermolecular forces and molecular dynamics simulation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) using symmetry adapted perturbation theory. The Journal of Physical Chemistry. A. 117: 3507-20 |