## Publications

### Preprints

- Non-Hydrogenic Exciton Rydberg Series in Monolayer WS2. arXiv:1403.4270 ,
- Correlation of local order with particle mobility in supercooled liquids is highly system dependent. arXiv:1402.6709 ,
- Crossovers in the dynamics of supercooled liquids probed by an amorphous wall. arXiv:1402.5974 ,
- Dynamics of Many-Body Localization. arXiv:1402.0502 ,
- Novel Relaxation Patterns in Supercooled Liquids from Generalized Mode-Coupling Theory. arXiv:1401.7062 ,
- Critical dynamical heterogeneities close to continuous second-order glass transitions. arXiv:1401.3253 ,

### 2014

- , Green's Functions from Real-Time Bold-Line Monte Carlo: Spectral Properties of the Nonequilibrium Anderson Impurity Model. Physical Review Letters 112, 146802 (2014).
- , Green's functions from real-time bold-line Monte Carlo. Physical Review B 189, 115139 (2014).
- , Segregation of Sublattice Domains in Nitrogen-Doped Graphene. Journal of the American Chemical Society 136, 1391 (2014).

### 2013

- , Decoherence and lead-induced interdot coupling in nonequilibrium electron transport through interacting quantum dots: A hierarchical quantum master equation approach. Physical Review B 88, 235426 (2013).
- , Dynamic Length Scales in Glass-Forming Liquids: A Inhomogeneous Molecular Dynamics Simulation Approach. Journal of Physical Chemistry B 117, 13259-13267 (2013).
- , Coherent quantum dynamics in donor-bridge-acceptor systems: beyond the hopping and super-exchange mechanisms. New Journal of Physics 15, 105020 (2013).
- , Local Atomic and Electronic Structure of Boron Chemical Doping in Monolayer Graphene. Nano Letters 13, 4659 (2013).
- , Impact of Molecular Symmetry on Single-Molecule Conductance. Journal of the American Chemical Society 135, 11724-11727 (2013).
- , Theory of neutral and charged excitons in monolayer transition metal dichalcogenides. Physical Review B 88, 045318 (2013).
- , Chromophore-Controlled Self-Assembly of Highly Ordered Polymer Nanostructures. Journal of Physical Chemistry Letters 4, 2520 (2013).
- , The Quantum Coherent Mechanism for Singlet Fission: Experiment and Theory. Accounts of Chemical Research 46, 1321 (2013).
- , Algorithm independent bounds on community detection problems and associated transitions in stochastic block model graphs. arXiv:1306.5794 (2013).
- , Microscopic theory to quantify the competing kinetic processes in photoexcited surface-coupled quantum dots. Physical Review B 87, 205426 (2013).
- , Grains and grain boundaries in highly crystalline monolayer molybdenum disulfide. Nature Materials 12, 554 (2013).
- , Numerically exact long-time magnetization dynamics at the nonequilibrium Kondo crossover of the Anderson impurity model. Phys. Rev. B 87, 195108 (2013).
- , A small subset of normal modes mimics the properties of dynamical heterogeneity in a model supercooled liquid. Journal of Chemical Physics 138, 12A537 (2013).
- , Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange. Journal of Chemical Physics 138, 114103 (2013).
- , Microscopic theory of singlet exciton fission. I. General formulation. Journal of Chemical Physics 138, 114102 (2013).
- , An edge density definition of overlapping and weighted graph communities. arXiv:1301.3120 (2013).
- , The promoter-search mechanism of Escherichia coli RNA polymerase is dominated by three-dimensional diffusion. Nature Structural And Molecular Biology 20, 174 (2013).

### 2012

- , Finite-temperature auxiliary-field quantum Monte Carlo for Bose-Fermi mixtures. Physical Review A 86, 053606 (2012).
- , Effects of the interfacial polarization on tunneling in surface coupled quantum dots. Physical Review B 86, 165322 (2012).
- , Accurate Force Field Development for Modeling Conjugated Polymers. Journal of Chemical Theory And Computation 8, 4556 (2012).
- , Connecting Dopant Bond Type with Electronic Structure in N-Doped Graphene. Nano Letters 12, 4025 (2012).
- , Growing Point-to-Set Length Scale Correlates with Growing Relaxation Times in Model Supercooled Liquids. Physical Review Letters 108, 225506 (2012).
- , Reduced density matrix hybrid approach: Application to electronic energy transfer. Journal of Chemical Physics 136, 084104 (2012).
- , Theory and simulations of quantum glass forming liquids. Journal of Chemical Physics 136, 074511 (2012).
- , Reduced density matrix hybrid approach: An efficient and accurate method for adiabatic and non-adiabatic quantum dynamics. Journal of Chemical Physics 136, 034113 (2012).

### 2011

- , Quantum quench spectroscopy of a Luttinger liquid: Ultrarelativistic density wave dynamics due to fractionalization in an XXZ chain. Physical Review B 84, 085146 (2011).
- , Numerically exact long-time behavior of nonequilibrium quantum impurity models. Physical Review B 84, 085134 (2011).
- , Visualizing Individual Nitrogen Dopants in Monolayer Graphene. Science 333, 999-1003 (2011).
- , Nonequilibrium transport in quantum impurity models: exact path integral simulations. Physical Chemistry Chemical Physics 13, 14378 (2011).
- , Controlling Chain Conformation in Conjugated Polymers Using Defect Inclusion Strategies. Journal of the American Chemical Society 133, 10155-10160 (2011).
- , Transport through a quantum dot with two parallel Luttinger liquid leads. Physical Review B 83, 245405 (2011).
- , Dynamical Mean-Field Theory for Quantum Chemistry. Physical Review Letters 106, 096402 (2011).
- , Transport through a quantum dot with excitonic dot-lead coupling. Physical Review B 83, 085415 (2011).
- , Quantum fluctuations can promote or inhibit glass formation. Nature Physics 7, 134-137 (2011).
- , On the mode-coupling treatment of collective density fluctuations for quantum liquids: Para-hydrogen and normal liquid helium. Journal of Chemical Physics 134, 045528 (2011).

### 2010

- , Numerically exact path-integral simulation of nonequilibrium quantum transport and dissipation. Physical Review B 82, 205323 (2010).
- , Spatiotemporal Hierarchy of Relaxation Events, Dynamical Heterogeneities, and Structural Reorganization in a Supercooled Liquid. Physical Review Letters 105, 135702 (2010).
- , Bold-line diagrammatic Monte Carlo method: General formulation and application to expansion around the noncrossing approximation. Physical Review B 82, 075109 (2010).
- , Conductivity of disordered quantum lattice models at infinite temperature: Many-body localization. Physical Review B 81, 224429 (2010).
- , Effect of a Coulombic dot-lead coupling on the dynamics of a quantum dot. Physical Review B 81, 205413 (2010).
- , Analytic continuation average spectrum method for transport in quantum liquids. Chemical Physics 370, 132-136 (2010).
- , Arrested fluid-fluid phase separation in depletion systems: Implications of the characteristic length on gel formation and rheology. Journal of Rheology 54, 421-438 (2010).
- , Dynamical heterogeneity in lattice glass models. Journal of Chemical Physics 132, 044510 (2010).

### 2009

- , Localized soft modes and the supercooled liquid's irreversible passage through its configuration space. Journal of Chemical Physics 131, 194508 (2009).
- , Soft colloids make strong glasses. Nature 462, 83-86 (2009).
- , Spatial dimension and the dynamics of supercooled liquids. Proceedings of the National Academy of Sciences 106, 15171-15175 (2009).
- , Analytic continuation average spectrum method for quantum liquids. Journal of Chemical Physics 131, 054502 (2009).

### 2008

- , Theory of coherent resonance energy transfer. Journal of Chemical Physics 129, 101104 (2008).
- , Irreversible reorganization in a supercooled liquid originates from localized soft modes. Nature Physics 4, 711-715 (2008).
- , On the role of hydrodynamic interactions in colloidal gelation. Journal of the Physical Society of Japan 77, 084804 (2008).
- , Numerical investigation of glassy dynamics in low-density systems. Physical Review Letters 100, 195701 (2008).
- , The subdiffusive targeting problem. Journal of Physical Chemistry B 112, 4283-4289 (2008).

### 2007

- , Nonequilibrium quantum dissipation in spin-fermion systems. Physical Review B 76, 195316 (2007).
- , Dynamical heterogeneity and nonlinear susceptibility in supercooled liquids with short-range attraction. Physical Review Letters 99, 135701 (2007).
- , Dynamic basis for one-dimensional DNA scanning by the mismatch repair complex Msh2-Msh6. Molecular Cell 28, 359-370 (2007).
- , Zeno and anti-Zeno effects in spin-bath models. Physical Review A 76, 012109 (2007).
- , Phase behavior and far-from-equilibrium gelation in charged attractive colloids. Physical Review E 75, 050401 (2007).
- , Strain-rate frequency superposition: A rheological probe of structural relaxation in soft materials. Physical Review Letters 98, 238303 (2007).
- , Spontaneous and induced dynamic fluctuations in glass formers. I. General results and dependence on ensemble and dynamics. Journal of Chemical Physics 126, 184503 (2007).
- , Spontaneous and induced dynamic correlations in glass formers. II. Model calculations and comparison to numerical simulations. Journal of Chemical Physics 126, 184504 (2007).
- , Systematic characterization of thermodynamic and dynamical phase behavior in systems with short-ranged attraction. Physical Review E 75, 011507 (2007).

### 2006

- , Contribution of slow clusters to the bulk elasticity near the colloidal glass transition. Physical Review Letters 97, 265701 (2006).
- , Inhomogeneous mode-coupling theory and growing dynamic length in supercooled liquids. Physical Review Letters 97, 195701 (2006).
- , Nonlinear viscoelasticity of metastable complex fluids. Europhysics Letters 75, 915-921 (2006).
- , On stochastic models of dynamic disorder. Journal of Physical Chemistry B 110, 19061-19065 (2006).
- , Cooperativity beyond caging: Generalized mode-coupling theory. Physical Review Letters 97, 095702 (2006).

### 2005

- , Glasslike arrest in spinodal decomposition as a route to colloidal gelation. Physical Review Letters 95, 238302 (2005).
- , Effect of flexibility on hydrophobic behavior of nanotube water channels. Journal of Chemical Physics 123, 194502 (2005).
- , Transport properties of normal liquid helium: Comparison of various methodologies. Journal of Chemical Physics 123, 184506 (2005).
- , Quantum mode-coupling theory: Formulation and applications to normal and supercooled quantum liquids. Annual Review of Physical Chemistry 56, 157-185 (2005).
- , Comparison of dynamical heterogeneity in hard-sphere and attractive glass formers. Journal of Physical Chemistry B 109, 14654-14658 (2005).
- , Mode-coupling theory and the fluctuation-dissipation theorem for nonlinear Langevin equations with multiplicative noise. Journal of Physics A 38, L343-L355 (2005).
- , Mode-coupling theory. Journal of Statistical Mechanics P05013 (2005).
- , Short-ranged attractions in jammed liquids: How cooling can melt a glass. Physical Review E 71, 031206 (2005).
- , Magnetic self-assembly of three-dimensional surfaces from planar sheets. Proceedings of the National Academy of Sciences 102, 3924-3929 (2005).
- , Quantum mode-coupling theory for binary mixtures. Journal of Chemical Physics 122, 034502 (2005).

### 2004

- , Relationship between mechanical and dynamical properties of glass forming liquids. Journal of Physical Chemistry B 108, 19703-19710 (2004).
- , Out-of-equilibrium dynamical fluctuations in glassy systems. Journal of Chemical Physics 121, 10120-10137 (2004).
- , Supercooled liquids under shear: Theory and simulation. Physical Review E 70, 011501 (2004).
- , Numerical investigation of the entropy crisis in model glass formers. Journal of Physical Chemistry B 108, 6832-6837 (2004).
- , Mean-field theory, mode-coupling theory, and the onset temperature in supercooled liquids. Physical Review E 69, 041202 (2004).
- , Anomalous diffusion probes microstructure dynamics of entangled F-actin networks. Physical Review Letters 92, 178101 (2004).
- , Nature of slow dynamics in a minimal model of frustration-limited domains. Physical Review E 69, 021501 (2004).
- , A fully self-consistent treatment of collective fluctuations in quantum liquids. Journal of Chemical Physics 120, 1458-1465 (2004).
- , Critical tests of a new master equation approach to nonadiabatic quantum dissipative systems. Chemical Physics 296, 129-134 (2004).
- , Semiclassical representations of electronic structure and dynamics. Journal of Chemical Physics 120, 579-589 (2004).

### 2003

- , Drying-mediated self-assembly of nanoparticles. Nature 426, 271-274 (2003).
- , Trap models and slow dynamics in supercooled liquids. Physical Review Letters 90, 025503 (2003).
- , Analytic continuation for quantum nonadiabatic rate constants. Journal of Chemical Physics 118, 457-460 (2003).

### 2002

- , Molecular hydrodynamic theory of supercooled liquids and colloidal suspensions under shear. Physical Review E 66, 050501 (2002).
- , Collective and single-particle dynamics in liquid ortho-deuterium: A quantum mode-coupling approach. Europhysics Letters 60, 656-662 (2002).
- , Adaptive nudged elastic band approach for transition state calculation. Journal of Chemical Physics 117, 4651-4658 (2002).
- , Calculating approximate quantum mechanical rates without an a priori reaction coordinate. Journal of Chemical Physics 116, 8376-8383 (2002).
- , A self-consistent mode-coupling theory for dynamical correlations in quantum liquids: Rigorous formulation. Journal of Chemical Physics 116, 6271-6278 (2002).
- , A self-consistent mode-coupling theory for dynamical correlations in quantum liquids: Application to liquid para-hydrogen. Journal of Chemical Physics 116, 6279-6285 (2002).
- , Molecular hydrodynamic approach to dynamical correlations in quantum liquids. Physical Review E 65, 036111 (2002).
- , On the multiple time scales in solvation dynamics: A mode-coupling theory approach. Journal of Chemical Physics 116, 5080-5089 (2002).
- , The calculation of transport properties in quantum liquids using the maximum entropy numerical analytic continuation method: Application to liquid para-hydrogen. Proceedings of the National Academy of Sciences 99, 1129-1133 (2002).
- , Molecular hydrodynamic theory of nonresonant Raman spectra in liquids: Third-order spectra. Journal of Chemical Physics 116, 1979-1986 (2002).
- , Molecular hydrodynamic theory of nonresonant Raman spectra in liquids: Fifth-order spectra. Journal of Chemical Physics 116, 1987-1994 (2002).

### 2001

- , Self-consistent mode-coupling theory for self-diffusion in quantum liquids. Physical Review Letters 87, 265702 (2001).
- , Reference system master equation approaches to condensed phase charge transfer processes. I. General formulation. Journal of Chemical Physics 115, 9848-9861 (2001).
- , Reference system master equation approaches to condensed phase charge transfer processes. II. Numerical tests and applications to the study of photoinduced charge transfer reactions. Journal of Chemical Physics 115, 9862-9870 (2001).
- , A short-time quantum mechanical expansion approach to vibrational relaxation. Journal of Physical Chemistry B 105, 6550-6555 (2001).
- , Mode-coupling theory of the fifth-order Raman spectrum of an atomic liquid. Physical Review E 63, 065101 (2001).
- , Classical mapping approaches for nonadiabatic dynamics: Short time analysis. Journal of Chemical Physics 114, 1065-1074 (2001).

### 2000

- , A Feynman path centroid dynamics approach for the computation of time correlation functions involving nonlinear operators. Journal of Chemical Physics 113, 919-929 (2000).
- , Self-consistent harmonic theory of solvation in glassy systems: Classical solvation. Journal of Chemical Physics 112, 3267-3279 (2000).
- , Self-consistent harmonic theory of solvation in glassy systems: Quantum solvation. Journal of Chemical Physics 112, 3280-3284 (2000).

### 1997

- , Spectral diffusion on ultralong time scales in low-temperature glasses. Physical Review B 56, 5250-5260 (1997).
- , Cumulant expansions and the spin-boson problem. Physical Review E 55, 2328-2337 (1997).

### 1996

- , Some comments on the nature of universal properties in low-temperature glasses. Molecular Crystals and Liquid Crystals 291, 65-72 (1996).
- , On the nonperturbative theory of pure dephasing in condensed phases at low temperatures. Journal of Chemical Physics 105, 10500-10506 (1996).
- , Alternative model of dissipation in quantum mechanics. Physical Review E 53, 4184-4186 (1996).
- , On the relaxation of a two-level system: Beyond the weak-coupling approximation. Journal of Chemical Physics 104, 1506-1518 (1996).

### 1995

- , Study of the coupling dependence of relaxation rates in a model of low-temperature tunneling dynamics. Journal of Physical Chemistry 99, 2777-2781 (1995).