Bose Research Group


The Bose Research Group focuses on developing novel computational approaches to simulating non-equilibrium dynamics of quantum systems in the condensed phase, overcoming the curse of dimensionality.


    

Announcements

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  • PhD and project positions are available in our group. Check out for more information about open positions.

  • July 2026: Rahul Sharma’s work on the Variational Adaptive Gaussian Decompositon in the Journal of Chemical Theory and Computation. It is a new of pushing classical trajectory-based wavepacket dynamics to exact quantum limits. Check it out…

  • April 2026: Our first collaborative work with Prof. Debashree Ghosh’s group on modeling singlet fission Hamiltonians beyond a dimer published in the Journal of Chemical Theory and Computation. Check it out…

  • April 2026: Devansh Sharma’s work on extending the state-to-state analysis method to path integral Lindblad dynamics published in the Journal of Chemical Theory and Computation. Check it out…

  • February 2026: Subhasish Mallick has started his independent position in the Bharat Institute of Technology. Congratulations!

Research Areas

The cost of simulations of time-evolution of quantum systems grows exponentially with the number of dimensions involved. Various approaches, both approximate and numerically exact, are required to make such simulations feasible. Explore the ideas that are being developed in the group.

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All Path Integrals Applications Software
QuantumDynamicsCLI.jl

QuantumDynamicsCLI.jl

Simulating the dynamics of quantum systems is a challenging task with a multitude of complicated computational methods. The QuantumDynamicsCLI.jl package provides an application that leverages QuantumDynamics.jl to help making simulations a routine affair.

QuantumDynamics.jl

QuantumDynamics.jl

QuantumDynamics.jl is an open-source software for simulation of non-adiabatic dynamics of open quantum systems. Though written with performance in mind, QuantumDynamics provides a high throughput platform for experimentation with state-of-the-art approaches to method development.

Multisite Tensor Network Path Integral

Multisite Tensor Network Path Integral

How does one handle the dynamics of extended quantum systems interacting with local dissipative media? MS-TNPI provides an answer to this problem by introducing a 2D tensor network decomposition of the path integral expressions.

Exciton and Polaritonic Transport

Exciton and Polaritonic Transport

Quantum energy transport in molecular and hybrid light–matter systems

Tensor Network Path Integral

Tensor Network Path Integral

Simulating exact quantum dynamics of a low-dimensional system interacting with a large dissipative environment proves to be challenging due to presence of non-Markovian effects. Tensor networks can be successfully used to reduce the memory burden of these non-Markovian simulations making it possible to study chemical reactions in the condensed phase with greater accuracy.

Topics under Study

Adiabatic Switching Autoencoder-Decoder Correlation Functions DMRG Exciton Transport Light-Harvesting Complex Lindblad Dynamics Lossy Systems Path Integrals Quantum-Classical Quasiclassical Rate Theory Routes of Transport Singlet Fission Software Spin Chain Tensor Networks Thawed Gaussian Approximation Transport Efficiency Wigner

Latest Publications

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Variational adaptive Gaussian decomposition: Scalable quadrature-free time-sliced thawed Gaussian dynamics
Time-slicing has emerged as a strategy for incorporating semiclassical propagation into real-time path integral formulation and …
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Variational adaptive Gaussian decomposition: Scalable quadrature-free time-sliced thawed Gaussian dynamics
Excitonic Hamiltonian for Singlet Fission: Beyond a Dimer Model
The importance of singlet fission as a fundamental process with a variety of implications in energy harvesting cannot be overstated. …
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Excitonic Hamiltonian for Singlet Fission: Beyond a Dimer Model
Routes of Transport in the Path Integral Lindblad Dynamics through State-to-State Analysis
Analyzing routes of transport for open quantum systems with nonequilibrium initial conditions, such as exciton transport aggregates, is …
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Routes of Transport in the Path Integral Lindblad Dynamics through State-to-State Analysis
Adaptive Kink Filtration: Achieving Asymptotic Size-Independence of Path Integral Simulations Utilizing the Locality of Interactions
Path integral calculations scale exponentially with system sizes, making simulations of large systems prohibitively difficult. However, physical systems have certain constraints; interactions, for instance, are generally quite local. Is it possible to use these features to make the cost of path integral simulations indepedent of system size? Explore in depth…
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Adaptive Kink Filtration: Achieving Asymptotic Size-Independence of Path Integral Simulations Utilizing the Locality of Interactions
Non-Hermitian State-to-State Analysis of Transport in Aggregates with Multiple Endpoints
Transport efficiency in aggregates is a complex many-body non-equilibrium phenomenon. Imagine a localized excitation generated at initial time. This localed excitation has to travel to the trap site and then would leak out. This total process would have a net time-scale. How does one calculate this emergent time-scale? What happens if there are multiple end-points?
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Non-Hermitian State-to-State Analysis of Transport in Aggregates with Multiple Endpoints
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