Overview
We develop statistical mechanical methods to study molecular motions and dynamical processes including reaction kinetics, transport, and spectroscopy.
Research Focus
The dynamics of molecules in condensed phases control phenomena ranging from biological processes to the course of liquid phase chemical reactions to the mechanical properties of materials. We develop theoretical methods for interpreting and predicting the properties of bulk matter that arise from molecular motions. A principal research area is the development of semiclassical approximations to time-dependent quantum mechanics with application to multidimensional vibrational and electronic molecular spectroscopy.
Publications
- Loring, R. F. " Voltage fluctuations and probe frequency jitter in electric force microscopy of a conductor," J. Chem. Phys. 2023, 159, 044703.
- Loring, R. F. " Noncontact friction in electric force microscopy over a conductor with nonlocal dielectric response," J. Phys. Chem. A 2022, 126, 6309-6313.
- Polley, K. ; Loring, R. F. "2D electronic-vibrational spectroscopy with classical trajectories,," J. Chem. Phys. 2022, 156, 204110.
- Loring, R. F. "Calculating multidimensional optical spectra from classical trajectories," Annu. Rev. Phys. Chem. 2022, 73.
- Polley, K. ; Loring, R. F. "Two-dimensional vibronic spectroscopy with semiclassical thermofield dynamics," J. Chem. Phys. 2022, 156, 124108.
- Polley, K. ; Loring, R. F. "Two-dimensional vibrational–electronic spectra with semiclassical mechanics," J. Chem. Phys. 2021, 154, 194110.
- Polley, K. ; Loring, R. F. "Spectroscopic response theory with classical mapping Hamiltonians," J. Chem. Phys. 2020, 153, 204103.
- Polley, K. ; Loring, R. F. "One and two dimensional vibronic spectra for an exciton dimer from classical trajectories," J. Phys. Chem. B 2020, 124, 9913-9920.
- Polley, K. ; Loring, R. F. "Two-dimensional vibronic spectra from classical trajectories," J. Chem. Phys. 2019, 150, 164114.
- Ramesh, P.; Loring, R. F. "Thermal population fluctuations in two-dimensional infrared spectroscopy captured with semiclassical mechanics," J. Phys. Chem. B, 2018, 122, 3647.
- Loring, R. F. "Mean-trajectory approximation for electronic and vibrational-electronic nonlinear spectroscopy,” J. Chem. Phys. 2017, 146, 144106.
- Loring, R. F. "Lattice model of spatial correlations in catalysis," J. Chem. Phys., 2016, 145, 134508.
- Moberg, D. R.; Alemi, M. ; Loring, R. F. "Thermal weights for semiclassical response functions," J. Chem. Phys. 2015, 143, 084101.
- Alemi, M. ; Loring, R. F. "Vibrational coherence and energy transfer in two-dimensional spectra with the optimized mean-trajectory approximation," J. Chem. Phys, 2015, 142, 212417.
- Alemi, M. ; Loring, R. F. "Two-dimensional vibrational spectroscopy of a dissipative system with the optimized mean-trajectory approximation," J. Phys. Chem. B 2015, 119, 8950-8959.
- Lekkala, S.; Marohn, J. A.; Loring, R. F. " Electric force microscopy of semiconductors: cantilever frequency fluctuations and noncontact friction," J. Chem. Phys. 2013, 139, 184702.
- Ochoa, M. A.; Chen, P.; Loring, R. F. " Single turnover measurements of nanoparticle catalysis analyzed with dwell time correlation functions and constrained mean dwell times," J. Phys. Chem. C 2013, 117, 19074-19081.
- Gerace, M.; Loring, R. F. "Two-dimensional spectroscopy of coupled vibrations with the optimized mean-trajectory approximation," J. Phys. Chem. B 2013, 117, 15452-15461.
- Gerace, M.; Loring, R. F. "An optimized semiclassical approximation for vibrational response functions," J. Chem. Phys. 2013, 138, 124104.
- Lekkala, S. ; Hoepker, N. ; Marohn, J. A. ; Loring, R. F. "Charge carrier dynamics and interactions in electric force microscopy, " J. Chem. Phys. 2012, 137, 124701.
- Ochoa, M. A.; Zhou, X.; Chen, P.; Loring, R. F. "Interpreting single turnover catalysis measurements with constrained mean dwell times, " J. Chem. Phys., 2011, 135, 174509.
- Hoepker, N. ; Lekkala, S.; Loring, R. F. ; Marohn, J. A. "Dielectric fluctuations over polymer films detected using an atomic force microscope, " J. Phys. Chem. B, 2011, 115, 14493-14500.
- Gruenbaum, S. M.; Loring, R. F. "Semiclassical quantization in Liouville space for vibrational dynamics," J. Phys. Chem. B, 2011, 115, 5148–5156.
- Bagchi, S.; Nebgen, B. T.; Loring, R. F.; Fayer, M. D. "Dynamics of a Myoglobin Mutant Enzyme: 2D IR Vibrational Echo Experiments and Simulations, J. Am. Chem. Soc. 2010, 132, 18367-18376.
- Gruenbaum, S. M.; Loring, R. F. "Semiclassical nonlinear response functions for coupled anharmonic vibrations," J. Chem. Phys., 2009, 204504.
- Yazdanian, S. M.; Hoepker, N.; Kuehn, S.; Loring, R. F. ; Marohn, J. A."Quantifying electric field gradient fluctuations over polymers using ultrasensitive cantilevers," Nano Lett., 2009, 9, 2273-2279.
- Gruenbaum S.M.; Loring, R. F. “Semiclassical Mean-Trajectory Approximation for Nonlinear Spectroscopic Response Functions,” J. Chem. Phys., 2008,129, 124508.
- Yazdanian, S. M.; Marohn, J. A.; Loring, R. F. "Dielectric fluctuations in force microscopy: Noncontact friction and frequency jitter," J. Chem. Phys. 2008, 128, 224706.
- Gruenbaum, S. M.; Loring, R. F.; "Interference and quantization in semiclassical response functions," J. Chem. Phys. 2008, 128, 124106.
- Goj, A.; Loring, R. F.; Comment on "Ultrafast dynamics of myoglobin without the distal histidine: vibrational echo experiments and molecular dynamics simulations," J. Phys. Chem. B, 2007, 111, 12938.
- Goj, A.; Loring, R. F.; Dephasing Dynamics in Confined Myoglobin, Chem. Phys., 2007, 341, 37.
- Kuehn, S.; Marohn, J. A.; Loring, R. F.; Noncontact Dielectric Friction, J. Phys. Chem. B, 2006, 110, 14525.
- Goj, A. ; Loring, R. F.; Effect of Noise on the Classical and Quantum Mechanical Nonlinear Response of Resonantly Coupled Anharmonic Oscillators, J. Chem. Phys., 2006, 194101.
- Kuehn, S.; Loring, R. F.; Marohn, J. A. Dielectric Fluctuations and the Origins of Noncontact Friction, Phys. Rev. Lett. 2006, 156103.
- Massari, A. M ; Finkelstein, I. J.; McClain, B. L.; Goj, A.; Wen, X.; Bren, K. L.; Loring, R.F.; Fayer, M. D. The Influence of Aqueous versus Glassy Solvents on Protein Dynamics: Vibrational Echo Experiments and Molecular Dynamics Simulations. J. Am. Chem. Soc., 2005, 127, 14279.
- Finkelstein, I. J.; Goj, A.; McClain, B.L.; Massari, A. M.; Merchant, K. A.; Loring, R.F.; Fayer, M. D.Ultrafast Dynamics of Myoglobin without the Distal Histidine: Stimulated Vibrational Echo Experiments and Molecular Dynamics Simulations. J. Phys. Chem. B, 2005, 109, 16959.