Thomas E. Markland

2011- Chemistry Stanford University, Palo Alto, CA 
"Thomas Markland"
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David E. Manolopoulos grad student 2006-2009 Oxford
Bruce J. Berne post-doc 2009-2011 Columbia


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William Clayton Pfalzgraff grad student
Ondrej Marsalek post-doc Stanford
Andrés Montoya-Castillo post-doc Stanford
Tobias Morawietz post-doc
Yuezhi Mao post-doc 2018- Stanford
Aaron Kelly post-doc 2011-2015 Stanford
Lu Wang post-doc 2012-2015 Stanford
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Boyer MA, Marsalek O, Heindel J, et al. (2019) Beyond Badger's Rule: The Origins and Generality of the Structure-Spectra Relationship of Aqueous Hydrogen Bond. The Journal of Physical Chemistry Letters
Montoya-Castillo A, Markland TE. (2018) On the exact continuous mapping of fermions. Scientific Reports. 8: 12929
Ruiz Pestana L, Marsalek O, Markland TE, et al. (2018) The Quest for Accurate Liquid Water Properties from First Principles. The Journal of Physical Chemistry Letters. 5009-5016
Zuehlsdorff TJ, Napoli JA, Milanese JM, et al. (2018) Unraveling electronic absorption spectra using nuclear quantum effects: Photoactive yellow protein and green fluorescent protein chromophores in water. The Journal of Chemical Physics. 149: 024107
Napoli JA, Marsalek O, Markland TE. (2018) Decoding the spectroscopic features and time scales of aqueous proton defects. The Journal of Chemical Physics. 148: 222833
Morawietz T, Marsalek O, Pattenaude SR, et al. (2018) The Interplay of Structure and Dynamics in the Raman Spectrum of Liquid Water over the Full Frequency and Temperature Range. The Journal of Physical Chemistry Letters
Wang L, Fried SD, Markland TE. (2017) Proton Network Flexibility Enables Robustness and Large Electric Fields in the Ketosteroid Isomerase Active Site. The Journal of Physical Chemistry. B
Marsalek O, Markland TE. (2017) Quantum Dynamics and Spectroscopy of Ab Initio Liquid Water: The Interplay of Nuclear and Electronic Quantum Effects. The Journal of Physical Chemistry Letters. 8: 1545-1551
Lau VM, Pfalzgraff WC, Markland TE, et al. (2017) Electrostatic control of regioselectivity in Au(I)-catalyzed hydroarylation. Journal of the American Chemical Society
Kelly A, Montoya-Castillo A, Wang L, et al. (2016) Generalized quantum master equations in and out of equilibrium: When can one win? The Journal of Chemical Physics. 144: 184105
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