Van Voorhis, Troy - Massachusetts Institute of Technology

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Thompson N. S., Wilson M. W. B., Congreve D. N., Brown P. R., Scherer J. M., Bischof T. S., Wu M., Geva N., Welborn M., Van Voorhis T., Bulovic V., Bawendi M. G. and Baldo M. A. (2014) Nature Materials, 13:1039 - 1043. Tsuchimochi T. and Van Voorhis T. (2014) Extended Moller-Plesset perturbation theory for dynamical and static correlations. J. Chem. Phys., 141:164117. Mavros M. G. and Van Voorhis T. (2014) Resummed memory kernels in generalized system-bath master equations. J. Chem. Phys., 141:054112. Yost S. R., Lee J., Wilson M. W. B., Wu T., McMahon D. P., Parkhurst R. R., Thompson N. J., Congreve D. N., Rao A., Johnson K., Sfeir M. Y., Bawendi M., Swager T. M., Friend R. H., Baldo M. A. and Van Voorhis T. (2014) A transferable model for singlet-fission kinetics. Nature Chem., 6:492-497. Mavros M. G., Tsuchimochi T., Kowalczyk T., McIsaac A., Wang L.-P. and Van Voorhis T. (2014) What Can Density Functional Theory Tell Us about Artificial Catalytic Water Splitting? Inorg. Chem., 53:6386-6397. Thompson N. J., Hontz E., Congreve D. N., Bahlke M. E., Reineke S., Van Voorhis T. and Baldo M. A. (2014) Nanostructured Singlet Fission Photovoltaics Subject to Triplet-Charge Annihilation. Adv. Mater., 26(9):1366-1371. Kaduk B., Tsuchimochi T. and Van Voorhis T. (2014) Analytic energy gradients for constrained DFT-configuration interaction. J. Chem. Phys., 140:18A503. Chaudhuri D., Sigmund E., Meyer A., Roeck L., Klemm P., Lautenschlager S., Schmid A., Yost, S. R., Van Voorhis T., Bange S., Hoeger S. and Lupton J. M. (2013) Metal-Free OLED Triplet Emitters by Side-Stepping Kasha's Rule. Angew. Chem. Int. Ed., 52(50):13449-13452. Welborn M., Chen J. and Van Voorhis T. (2013) Densities of states for disordered systems from free probability. Phys. Rev. B, 88:205113. Yost S. R., Kowalczyk T. and Van Voorhis T. (2013) A multireference perturbation method using non-orthogonal Hartree-Fock determinants for ground and excited states. J. Chem. Phys., 139:174104. Wang L.-P., Tofan D., Chen J., Van Voorhis T. and Cummins C. C. (2013) A pathway to diphosphorus from the dissociation of photoexcited tetraphosphorus. RCS Adv., 3:23166-23171. Davari N., Astran d P. O. and Van Voorhis T. (2013) Field dependent ionisation potential by constrained density functional theory. Mol. Phys., 111:1456-1461. Zhukhovitskiy A. V., Mavros M. G., Van Voorhis T. and Johnson J. A. (2013) Addressable Carbene Anchors for Gold Surfaces. J. Am. Chem. Soc., 135:7418-7421. Lee J., Jadhav P., Reusswig P. D., Yost S. R., Thompson N. J., Congreve D. N., Hontz E., Van Voorhis T. and Baldo M. A. (2013) Singlet Exciton Fission Photovoltaics. Acc. Chem. Res., 46:1300-1311. Kowalczyk T., Tsuchimochi T., Chen P.-T., Top L. and Van Voorhis T. (2013) Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach. J. Chem. Phys., 138:164101. Congreve D. N.*, Lee J.*, Thompson N. J.*, Hontz E., Yost S. R., Reusswig P. D., Bahlke M. E., Reineke S., Van Voorhis T. and Baldo M. A. (2013) External Quantum Efficiency Above 100% in a Singlet-Exciton-Fission-Based Organic Photovoltaic Cell. Science, 340(6130):334-337. Yost S. R. and Van Voorhis T. (2013) Electrostatic Effects at Organic Semiconductor Interfaces: A Mechanism for "Cold" Exciton Breakup. J. Phys. Chem. C, 117(11):5617-5625. Pavanello M., Van Voorhis T., Visscher L. and Neugebauer J. (2013) An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings. J. Chem. Phys., 138:054101. McCarthy B. D., Hontz E. R., Yost S. R., Van Voorhis T. and Dinca, M. (2013) Charge Transfer or J-Coupling? Assignment of an Unexpected Red-Shifted Absorption Band in a Naphthalenediimide-Based Metal-Organic Framework. J. Phys. Chem. Lett., 4(3):453-458. Wang L.-P., Chen J., and Van Voorhis T. (2013) Systematic Parametrization of Polarizable Force Fields from Quantum Chemistry Data. J. Chem. Theory Comput., 9(1):452-460.

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