Published in Proc Natl Acad Sci U S A on May 13, 2005
Coherent multidimensional optical spectroscopy of excitons in molecular aggregates; quasiparticle versus supermolecule perspectives. Chem Rev (2009) 2.32
Automated 2D IR spectroscopy using a mid-IR pulse shaper and application of this technology to the human islet amyloid polypeptide. Proc Natl Acad Sci U S A (2007) 1.64
Simulation protocols for coherent femtosecond vibrational spectra of peptides. J Phys Chem B (2006) 1.58
Simulation of two-dimensional infrared spectroscopy of amyloid fibrils. Proc Natl Acad Sci U S A (2007) 1.23
Multidimensional attosecond resonant X-ray spectroscopy of molecules: lessons from the optical regime. Annu Rev Phys Chem (2012) 1.17
Double-quantum resonances and exciton-scattering in coherent 2D spectroscopy of photosynthetic complexes. Proc Natl Acad Sci U S A (2008) 1.10
A coherent nonlinear optical signal induced by electron correlations. J Chem Phys (2007) 1.08
Two Dimensional Electronic Correlation Spectroscopy of the npi* and pipi* Protein Backbone Transitions: A Simulation Study. Chem Phys (2007) 0.91
Probing the folding of mini-protein Beta3s by two-dimensional infrared spectroscopy; simulation study. PMC Biophys (2010) 0.81
Distinguishing amyloid fibril structures in Alzheimer's disease (AD) by two-dimensional ultraviolet (2DUV) spectroscopy. Biochemistry (2011) 0.79
Study of the γD-crystallin protein using two-dimensional infrared (2DIR) spectroscopy: experiment and simulation. J Phys Chem B (2013) 0.78
Double-core excitations in formamide can be probed by X-ray double-quantum-coherence spectroscopy. J Chem Phys (2013) 0.78
Coherent femtosecond multidimensional probes of molecular vibrations. Proc Natl Acad Sci U S A (2005) 0.75
Dissecting two-dimensional ultraviolet spectra of amyloid fibrils into beta-strand and turn contributions. J Phys Chem B (2012) 0.75
Canonical dynamics: Equilibrium phase-space distributions. Phys Rev A Gen Phys (1985) 26.82
The protein folding 'speed limit'. Curr Opin Struct Biol (2004) 6.19
Simultaneous determination of protein structure and dynamics. Nature (2005) 5.28
Multidimensional femtosecond correlation spectroscopies of electronic and vibrational excitations. Annu Rev Phys Chem (2000) 3.45
Two-dimensional infrared spectroscopy of peptides by phase-controlled femtosecond vibrational photon echoes. Proc Natl Acad Sci U S A (2000) 2.99
Vibrational anharmonicities revealed by coherent two-dimensional infrared spectroscopy. Phys Rev Lett (2001) 1.99
Two-dimensional infrared spectroscopy of antiparallel beta-sheet secondary structure. J Am Chem Soc (2004) 1.75
Many-body approaches for simulating coherent nonlinear spectroscopies of electronic and vibrational excitons. Chem Rev (2004) 1.50
Solution structure of the transforming growth factor beta-binding protein-like module, a domain associated with matrix fibrils. EMBO J (1997) 1.46
A pulse sequence for directly measuring the anharmonicities of coupled vibrations: Two-quantum two-dimensional infrared spectroscopy. J Chem Phys (2004) 1.44
Stochastic Liouville equation simulation of multidimensional vibrational line shapes of trialanine. J Chem Phys (2004) 1.23
Disentangling multidimensional femtosecond spectra of excitons by pulse shaping with coherent control. J Chem Phys (2004) 0.91
Coherent multidimensional optical spectroscopy of excitons in molecular aggregates; quasiparticle versus supermolecule perspectives. Chem Rev (2009) 2.32
Nonlinear optical spectroscopy of single, few, and many molecules; nonequilibrium Green's function QED approach. Phys Rev A (2008) 1.62
Simulation protocols for coherent femtosecond vibrational spectra of peptides. J Phys Chem B (2006) 1.58
Many-body approaches for simulating coherent nonlinear spectroscopies of electronic and vibrational excitons. Chem Rev (2004) 1.50
Unravelling coherent dynamics and energy dissipation in photosynthetic complexes by 2D spectroscopy. Biophys J (2008) 1.46
Electrostatic DFT map for the complete vibrational amide band of NMA. J Phys Chem A (2005) 1.43
Role of water in electron-initiated processes and radical chemistry: issues and scientific advances. Chem Rev (2005) 1.38
Coherent multidimensional vibrational spectroscopy of biomolecules: concepts, simulations, and challenges. Angew Chem Int Ed Engl (2009) 1.36
Coherent x-ray Raman spectroscopy: a nonlinear local probe for electronic excitations. Phys Rev Lett (2002) 1.29
Two-dimensional stimulated resonance Raman spectroscopy of molecules with broadband x-ray pulses. J Chem Phys (2012) 1.28
Direct evidence of quantum transport in photosynthetic light-harvesting complexes. Proc Natl Acad Sci U S A (2011) 1.27
Simulation of two-dimensional infrared spectroscopy of amyloid fibrils. Proc Natl Acad Sci U S A (2007) 1.23
Stochastic Liouville equation simulation of multidimensional vibrational line shapes of trialanine. J Chem Phys (2004) 1.23
Collective solvent coordinates for the infrared spectrum of HOD in D2O based on an ab initio electrostatic map. J Phys Chem A (2005) 1.22
2D-IR experiments and simulations of the coupling between amide-I and ionizable side chains in proteins: application to the Villin headpiece. J Phys Chem B (2009) 1.17
Manipulating multidimensional electronic spectra of excitons by polarization pulse shaping. J Chem Phys (2007) 1.12
The origin of vibrational mode couplings in various secondary structural motifs of polypeptides. Proc Natl Acad Sci U S A (2004) 1.11
Stochastic simulation of chemical exchange in two dimensional infrared spectroscopy. J Chem Phys (2006) 1.11
Double-quantum resonances and exciton-scattering in coherent 2D spectroscopy of photosynthetic complexes. Proc Natl Acad Sci U S A (2008) 1.10
Density matrix analysis and simulation of electronic excitations in conjugated and aggregated molecules. Chem Rev (2002) 1.09
Quantum oscillatory exciton migration in photosynthetic reaction centers. J Chem Phys (2010) 1.08
Coherent multidimensional optical probes for electron correlations and exciton dynamics: from NMR to X-rays. Acc Chem Res (2009) 1.07
Two-dimensional near-ultraviolet spectroscopy of aromatic residues in amyloid fibrils: a first principles study. Phys Chem Chem Phys (2010) 1.04
Ultraviolet spectroscopy of protein backbone transitions in aqueous solution: combined QM and MM simulations. J Phys Chem B (2010) 1.04
Coherent nonlinear optical studies of elementary processes in biological complexes: diagrammatic techniques based on the wave function versus the density matrix. Philos Trans A Math Phys Eng Sci (2012) 1.04
Two-dimensional vibrational optical probes for peptide fast folding investigation. Proc Natl Acad Sci U S A (2006) 1.03
Core and valence excitations in resonant X-ray spectroscopy using restricted excitation window time-dependent density functional theory. J Chem Phys (2012) 1.03
Coherent third-order spectroscopic probes of molecular chirality. J Chem Phys (2005) 1.00
Photosynthetic reaction center as a quantum heat engine. Proc Natl Acad Sci U S A (2013) 1.00
Stochastic Liouville equations for hydrogen-bonding fluctuations and their signatures in two-dimensional vibrational spectroscopy of water. J Chem Phys (2005) 1.00
Two-dimensional infrared spectroscopy as a probe of the solvent electrostatic field for a twelve residue peptide. J Phys Chem B (2007) 0.99
Coherent ultrafast core-hole correlation spectroscopy: x-ray analogues of multidimensional NMR. Phys Rev Lett (2007) 0.98
Exciton dynamics in chromophore aggregates with correlated environment fluctuations. J Chem Phys (2011) 0.98
A unified description of sum frequency generation, parametric down conversion and two-photon fluorescence. Mol Phys (2009) 0.97
Probing electron correlations in molecules by two-dimensional coherent optical spectroscopy. J Am Chem Soc (2008) 0.97
Vibrational-exciton couplings for the amide I, II, III, and A modes of peptides. J Phys Chem B (2007) 0.97
Extracting single and two-exciton couplings in photosynthetic complexes by coherent two-dimensional electronic spectra. Chem Phys (2008) 0.96
Two-dimensional electronic double-quantum coherence spectroscopy. Acc Chem Res (2009) 0.96
Generalized Kramers-Heisenberg expressions for stimulated Raman scattering and two-photon absorption. Phys Rev A (2009) 0.96
Simulation study of chiral two-dimensional ultraviolet spectroscopy of the protein backbone. J Am Chem Soc (2010) 0.95
Two-quantum many-body coherences in two-dimensional fourier-transform spectra of exciton resonances in semiconductor quantum wells. Phys Rev Lett (2010) 0.95
Resonant enhancement and dissipation in nonequilibrium van der Waals forces. Phys Rev Lett (2003) 0.94
Coherent infrared multidimensional spectra of the OH stretching band in liquid water simulated by direct nonlinear exciton propagation. J Chem Phys (2009) 0.94
Broadband infrared and Raman probes of excited-state vibrational molecular dynamics: simulation protocols based on loop diagrams. Phys Chem Chem Phys (2013) 0.93
Lindblad equations for strongly coupled populations and coherences in photosynthetic complexes. J Chem Phys (2009) 0.92
Chirality-induced signals in coherent multidimensional spectroscopy of excitons. J Chem Phys (2006) 0.92
Coherent multidimensional optical spectroscopy. Acc Chem Res (2009) 0.92
Time-resolved broadband Raman spectroscopies: a unified six-wave-mixing representation. J Chem Phys (2013) 0.92
Disentangling multidimensional femtosecond spectra of excitons by pulse shaping with coherent control. J Chem Phys (2004) 0.91
Two Dimensional Electronic Correlation Spectroscopy of the npi* and pipi* Protein Backbone Transitions: A Simulation Study. Chem Phys (2007) 0.91
Coherent control of cross-peaks in chirality-induced two-dimensional optical signals of excitons. J Chem Phys (2006) 0.91
Monitoring Non-Adiabatic Dynamics of the RNA Base Uracil by UV-Pump-IR-Probe Spectroscopy. J Phys Chem Lett (2013) 0.91
Two-dimensional correlation spectroscopy of two-exciton resonances in semiconductor quantum wells. Phys Rev Lett (2008) 0.90
Coherent low-frequency motions of hydrogen bonded acetic acid dimers in the liquid phase. J Chem Phys (2004) 0.89
Energy-transfer and charge-separation pathways in the reaction center of photosystem II revealed by coherent two-dimensional optical spectroscopy. J Chem Phys (2010) 0.89
Stimulated coherent anti-Stokes Raman spectroscopy (CARS) resonances originate from double-slit interference of two-photon Stokes pathways. Proc Natl Acad Sci U S A (2010) 0.88
Vibrational sum-frequency generation spectroscopy at the water/lipid interface: molecular dynamics simulation study. J Am Chem Soc (2010) 0.88
Stochastic Liouville equations for coherent multidimensional spectroscopy of excitons. J Phys Chem B (2008) 0.87
Monitoring the folding of Trp-cage peptide by two-dimensional infrared (2DIR) spectroscopy. J Phys Chem B (2013) 0.86
Manipulating stimulated coherent anti-Stokes Raman spectroscopy signals by broad-band and narrow-band pulses. J Chem Phys (2009) 0.86
Coherent control of pump-probe signals of helical structures by adaptive pulse polarizations. J Chem Phys (2006) 0.86
Probing interactions between core-electron transitions by ultrafast two-dimensional x-ray coherent correlation spectroscopy. J Chem Phys (2008) 0.86
Chirality-based signatures of local protein environments in two-dimensional optical spectroscopy of two species photosynthetic complexes of green sulfur bacteria: simulation study. Biophys J (2008) 0.86
Probing anomalous relaxation by coherent multidimensional optical spectroscopy. Phys Rev Lett (2007) 0.86
Simulation and visualization of attosecond stimulated x-ray Raman spectroscopy signals in trans-N-methylacetamide at the nitrogen and oxygen K-edges. J Chem Phys (2011) 0.86
Simulation of two-dimensional ultraviolet spectroscopy of amyloid fibrils. J Phys Chem B (2010) 0.85
Novel coherent two-dimensional optical spectroscopy probes of chirality exchange and fluctuations in molecules. J Chem Phys (2011) 0.85
Anomalous lineshapes and aging effects in two-dimensional correlation spectroscopy. J Chem Phys (2007) 0.85
Photon entanglement signatures in difference-frequency-generation. Opt Express (2009) 0.84
Excitons and disorder in molecular nanotubes: a 2D electronic spectroscopy study and first comparison to a microscopic model. J Phys Chem A (2010) 0.84
Nonequilibrium superoperator GW equations. J Chem Phys (2006) 0.84
Discriminating early stage A{beta}42 monomer structures using chirality-induced 2DIR spectroscopy in a simulation study. Proc Natl Acad Sci U S A (2010) 0.84
Simulation of single molecule inelastic electron tunneling signals in paraphenylene-vinylene oligomers and distyrylbenzene[2.2]paracyclophanes. J Phys Chem A (2006) 0.84
Fluctuation theorems for quantum master equations. Phys Rev E Stat Nonlin Soft Matter Phys (2006) 0.84
Correlated hydrogen bonding fluctuations and vibrational cross peaks in N-methyl acetamide: simulation based on a complete electrostatic density functional theory map. J Chem Phys (2006) 0.84
Geometry and Excitation Energy Fluctuations of NMA in Aqueous Solution with CHARMM, AMBER, OPLS, and GROMOS Force Fields: Implications for Protein Ultraviolet Spectra Simulation. Chem Phys Lett (2008) 0.84
Cooperative effects in photon statistics of molecular dimers with spectral diffusion. J Chem Phys (2006) 0.83
Probing amyloid fibril growth by two-dimensional near-ultraviolet spectroscopy. J Phys Chem B (2011) 0.83
One-dimensional transport with dynamic disorder. Phys Rev E Stat Nonlin Soft Matter Phys (2003) 0.82
Two-dimensional ultraviolet (2DUV) spectroscopic tools for identifying fibrillation propensity of protein residue sequences. Angew Chem Int Ed Engl (2010) 0.82
Entangled Valence Electron-Hole Dynamics Revealed by Stimulated Attosecond X-ray Raman Scattering. J Phys Chem Lett (2012) 0.82
Simulation of x-ray absorption near-edge spectra and x-ray fluorescence spectra of optically excited molecules. J Chem Phys (2006) 0.81
Isolating excitonic Raman coherence in semiconductors using two-dimensional correlation spectroscopy. J Chem Phys (2008) 0.81
Simulation strategies and signatures of chaos in classical nonlinear response. Phys Rev E Stat Nonlin Soft Matter Phys (2003) 0.81
Sensitivity of 2D IR spectra to peptide helicity: a concerted experimental and simulation study of an octapeptide. J Phys Chem B (2009) 0.81