Numerically exact, time-dependent study of correlated electron transport in model molecular junctions

An electrostatic gate for mechanically controlled single-molecule junctions

(2012) Stefan Ballmann et al.   NEW JOURNAL OF PHYSICS

Inelastic electron transport through mesoscopic systems: Heating versus cooling and sequential tunneling versus cotunneling processes

(2012) Feng Jiang et al.   PHYSICAL REVIEW B

Bistability signatures in nonequilibrium charge transport through molecular quantum dots

(2012) Klaus Ferdinand Albrecht et al.   PHYSICAL REVIEW B

Correlation effects in bistability at the nanoscale: Steady state and beyond

(2012) E. Khosravi et al.   PHYSICAL REVIEW B

Stability analysis of multiple nonequilibrium fixed points in self-consistent electron transport calculations

(2011) Alan A. Dzhioev et al.   JOURNAL OF CHEMICAL PHYSICS

Numerically exact, time-dependent treatment of vibrationally coupled electron transport in single-molecule junctions

(2011) Haobin Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Multilayer multiconfiguration time-dependent Hartree method: Implementation and applications to a Henon–Heiles Hamiltonian and to pyrazine

(2011) Oriol Vendrell et al.   JOURNAL OF CHEMICAL PHYSICS

Bias-controlled selective excitation of vibrational modes in molecular junctions: a route towards mode-selective chemistry

(2011) Roie Volkovich et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Resonant electron transport in single-molecule junctions: Vibrational excitation, rectification, negative differential resistance, and local cooling

(2011) R. Härtle et al.   PHYSICAL REVIEW B

Memory effects in nonequilibrium quantum impurity models

(2011) Guy Cohen et al.   PHYSICAL REVIEW B

Electron−Phonon Interactions in Single Octanedithiol Molecular Junctions

(2010) Joshua Hihath et al.   ACS Nano

From coherent motion to localization: II. Dynamics of the spin-boson model with sub-Ohmic spectral density at zero temperature

(2010) Haobin Wang et al.   CHEMICAL PHYSICS

Sandwich-type gated mechanical break junctions

(2010) Christian A Martin et al.   NANOTECHNOLOGY

Comparative study of theoretical methods for non-equilibrium quantum transport

(2010) J Eckel et al.   NEW JOURNAL OF PHYSICS

Numerically exact path-integral simulation of nonequilibrium quantum transport and dissipation

(2010) Dvira Segal et al.   PHYSICAL REVIEW B

Competition between current-induced excitation and bath-induced decoherence in molecular junctions

(2009) Ryan Jorn et al.   JOURNAL OF CHEMICAL PHYSICS

Vibration-induced inelastic effects in the electron transport through multisite molecular bridges

(2009) Natalya A. Zimbovskaya et al.   JOURNAL OF CHEMICAL PHYSICS

Numerically exact quantum dynamics for indistinguishable particles: The multilayer multiconfiguration time-dependent Hartree theory in second quantization representation

(2009) Haobin Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamics of electron transfer reactions in the presence of mode mixing: Comparison of a generalized master equation approach with the numerically exact simulation

(2009) Kirill A. Velizhanin et al.   JOURNAL OF CHEMICAL PHYSICS

Layered discrete variable representations and their application within the multiconfigurational time-dependent Hartree approach

(2009) Uwe Manthe   JOURNAL OF CHEMICAL PHYSICS

Numerical approach to time-dependent quantum transport and dynamical Kondo transition

(2009) Xiao Zheng et al.   JOURNAL OF CHEMICAL PHYSICS

Switching the Conductance of a Single Molecule by Photoinduced Hydrogen Transfer

(2009) C. Benesch et al.   Journal of Physical Chemistry C

Transport in molecular states language: Generalized quantum master equation approach

(2009) Massimiliano Esposito et al.   PHYSICAL REVIEW B

Many-body theory of electronic transport in single-molecule heterojunctions

(2009) J. P. Bergfield et al.   PHYSICAL REVIEW B

Real-time simulations of nonequilibrium transport in the single-impurity Anderson model

(2009) F. Heidrich-Meisner et al.   PHYSICAL REVIEW B

Diagrammatic Monte Carlo simulation of nonequilibrium systems

(2009) Philipp Werner et al.   PHYSICAL REVIEW B

Real-time diagrammatic Monte Carlo for nonequilibrium quantum transport

(2009) Marco Schiró et al.   PHYSICAL REVIEW B

Vibrational Nonequilibrium Effects in the Conductance of Single Molecules with Multiple Electronic States

(2009) R. Härtle et al.   PHYSICAL REVIEW LETTERS

Conductance Switching and Vibrational Fine Structure of a [2 × 2] CoII4Gridlike Single Molecule Measured in a Three-Terminal Device

(2009) Edgar A. Osorio et al.   Small

Quantum transport through STM-lifted single PTCDA molecules

(2008) Florian Pump et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Heat transport through model molecular junctions: A multilayer multiconfiguration time-dependent Hartree approach

(2008) Kirill A. Velizhanin et al.   CHEMICAL PHYSICS LETTERS

Effects of intense femtosecond pumping on ultrafast electronic-vibrational dynamics in molecular systems with relaxation

(2008) Dassia Egorova et al.   JOURNAL OF CHEMICAL PHYSICS

A multilayer multiconfigurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces

(2008) Uwe Manthe   JOURNAL OF CHEMICAL PHYSICS

Vibronic Effects in Single Molecule Conductance: First-Principles Description and Application to Benzenealkanethiolates between Gold Electrodes

(2008) C. Benesch et al.   Journal of Physical Chemistry C

Vibrational Excitation in Single-Molecule Transistors: Deviation from the Simple Franck−Condon Prediction

(2008) Nathalie P. de Leon et al.   NANO LETTERS

From coherent motion to localization: dynamics of the spin-boson model at zero temperature

(2008) Haobin Wang et al.   NEW JOURNAL OF PHYSICS

Multiconfigurational time-dependent Hartree method for bosons: Many-body dynamics of bosonic systems

(2008) Ofir E. Alon et al.   PHYSICAL REVIEW A

Iterative real-time path integral approach to nonequilibrium quantum transport

(2008) S. Weiss et al.   PHYSICAL REVIEW B

Quantum transport in a resonant tunnel junction coupled to a nanomechanical oscillator

(2008) M. Tahir et al.   PHYSICAL REVIEW B

Tunneling through molecules and quantum dots: Master-equation approaches

(2008) Carsten Timm   PHYSICAL REVIEW B

Multimode vibrational effects in single-molecule conductance: A nonequilibrium Green’s function approach

(2008) R. Härtle et al.   PHYSICAL REVIEW B

Kinetic equations for transport through single-molecule transistors

(2008) M. Leijnse et al.   PHYSICAL REVIEW B

Optical field control of charge transmission through a molecular wire. I. Generalized master equation description

(2008) Volkhard May et al.   PHYSICAL REVIEW B

Optical field control of charge transmission through a molecular wire. II. Photoinduced removal of the Franck-Condon blockade

(2008) Volkhard May et al.   PHYSICAL REVIEW B

Resonant Electron Heating and Molecular Phonon Cooling in SingleC60Junctions

(2008) G. Schulze et al.   PHYSICAL REVIEW LETTERS

Real-Time Path Integral Approach to Nonequilibrium Many-Body Quantum Systems

(2008) Lothar Mühlbacher et al.   PHYSICAL REVIEW LETTERS

Steady-State Currents through Nanodevices: A Scattering-States Numerical Renormalization-Group Approach to Open Quantum Systems

(2008) Frithjof B. Anders   PHYSICAL REVIEW LETTERS

Nuclear Coupling and Polarization in Molecular Transport Junctions: Beyond Tunneling to Function

(2008) M. Galperin et al.   SCIENCE

Nonperturbative quantum simulation of time-resolved nonlinear spectra: Methodology and application to electron transfer reactions in the condensed phase

(2007) Haobin Wang et al.   CHEMICAL PHYSICS