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Isborn CM, Luehr N, Ufimtsev IS, Martínez TJ.  2011.  Excited-state electronic structure with configuration interaction singles and Tamm–Dancoff time-dependent density functional theory on graphical processing units. Journal of chemical theory and computation. 7:1814–1823.
Hudock HR, Martínez TJ.  2008.  Excited-State Dynamics of Cytosine Reveal Multiple Intrinsic Subpicosecond Pathways. ChemPhysChem. 9:2486–2490.
Parrish RM, Hohenstein EG, Schunck NF, C Sherrill D, Martínez TJ.  2013.  Exact Tensor Hypercontraction: A Universal Technique for the Resolution of Matrix Elements of Local Finite-Range N-Body Potentials in Many-Body Quantum Problems. Physical review letters. 111:132505.
Ufimtsev IS, Luehr N, Titov A, Martínez TJ.  2011.  Electronic Structure and First Principles Dynamics on Graphical Processing Units. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 242
Isborn CM, Götz AW, Clark MA, Walker RC, Martínez TJ.  2012.  Electronic absorption spectra from MM and ab Initio QM/MM molecular dynamics: environmental effects on the absorption spectrum of photoactive yellow protein. Journal of chemical theory and computation. 8:5092–5106.
Miyabe S, Martínez TJ.  2012.  Electron Dynamics with a Mixed Moving/Fixed Frozen Gaussian Basis Set. APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts. 1:1166.
Kim J, Tao H, White JL, Petrović VS, Martínez TJ, Bucksbaum PH.  2011.  Control of 1, 3-cyclohexadiene photoisomerization using light-induced conical intersections. The Journal of Physical Chemistry A. 116:2758–2763.
Tao H, Shen L, Kim MHwa, Suits AG, Martínez TJ.  2011.  Conformationally selective photodissociation dynamics of propanal cation. The Journal of chemical physics. 134:054313.
Kim MHwa, Shen L, Tao H, Martínez TJ, Suits AG.  2007.  Conformationally controlled chemistry: excited-state dynamics dictate ground-state reaction. Science. 315:1561–1565.
Hemp J, Han H, Roh JHyeob, Kaplan S, Martínez TJ, Gennis RB.  2007.  Comparative genomics and site-directed mutagenesis support the existence of only one input channel for protons in the C-family (cbb 3 oxidase) of heme-copper oxygen reductases. Biochemistry. 46:9963–9972.
Hohenstein EG, Parrish RM, C Sherrill D, Martínez TJ.  2012.  Communication: Tensor hypercontraction. III. Least-squares tensor hypercontraction for the determination of correlated wavefunctions. The Journal of chemical physics. 137:221101.
Parrish RM, C Sherrill D, Hohenstein EG, Kokkila SIL, Martínez TJ.  2014.  Communication: Acceleration of coupled cluster singles and doubles via orbital-weighted least-squares tensor hypercontraction. The Journal of chemical physics. 140:181102.
Ufimtsev IS, Luehr N, Martínez TJ.  2011.  Charge transfer and polarization in solvated proteins from ab initio molecular dynamics. The Journal of Physical Chemistry Letters. 2:1789–1793.