Article-Journal

Effect of temperature gradient on quantum transport
The recently introduced multisite tensor network path integral (MS-TNPI) method [Bose and Walters, J. Chem. Phys., 2022, 156, 24101] …
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Effect of temperature gradient on quantum transport
Zero-cost corrections to influence functional coefficients from bath response functions
Recent work has shown that it is possible to circumvent the calculation of the spectral density and directly generate the coefficients …
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Tensor Network Path Integral Study of Dynamics in B850 LH2 Ring with Atomistically Derived Vibrations
A study of excitonic dynamics and absorption spectra of the LH-II B850 photosynthetic ring using the Multisite Tensor Network Path Integral approach. Read in full detail…
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Tensor Network Path Integral Study of Dynamics in B850 LH2 Ring with Atomistically Derived Vibrations
Pairwise connected tensor network representation of path integrals
While specific tensor networks like the matrix product state (MPS) have started to prove their utility in simulating non-equilibrium dynamics of quantum systems interacting with a condensed phase, these structures do not manifestly embody the explicit structure of the temporally non-local interactions induced by the condensed phase. Here we introduce a new tensor network which is designed to capture the specific symmetries in the non-Markovian interactions. Read more…
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Pairwise connected tensor network representation of path integrals
A multisite decomposition of the tensor network path integrals
The dimensionality of the Hilbert space required to describe an extended system grows exponentially with the size of the system. We present a method that utilizes tensor networks with Feynman-Vernon influence functional to account for the dynamics of extended systems in presence of local dissipative media. Read in full detail…
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A multisite decomposition of the tensor network path integrals
Quantum phase transitions in long-range interacting hyperuniform spin chains in a transverse field
Hyperuniform states of matter are characterized by anomalous suppression of long-wavelength density fluctuations. While most of the …
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Quantum‐classical Path Integral Evaluation of Reaction Rates with a Near‐equilibrium Flux Formulation
Quantum-classical formulations of reactive flux correlation functions require the partial Weyl-Wigner transform of the thermalized flux …
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Quantum‐classical Path Integral Evaluation of Reaction Rates with a Near‐equilibrium Flux Formulation
All-Mode Quantum–Classical Path Integral Simulation of Bacteriochlorophyll Dimer Exciton-Vibration Dynamics
We use the quantum–classical path integral (QCPI) methodology to report numerically exact, fully quantum mechanical results for the …
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All-Mode Quantum–Classical Path Integral Simulation of Bacteriochlorophyll Dimer Exciton-Vibration Dynamics
Coherent State-Based Path Integral Methodology for Computing the Wigner Phase Space Distribution
The accurate evaluation of the Wigner phase space density for multidimensional system remains a challenging task. Path integral Monte …
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Coherent State-Based Path Integral Methodology for Computing the Wigner Phase Space Distribution
Quasiclassical Correlation Functions from the Wigner Density Using the Stability Matrix
Accounting for zero-point energy in the initial conditions of classical trajectory calculations of time correlation functions requires …
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Quasiclassical Correlation Functions from the Wigner Density Using the Stability Matrix