arXiv subjects

Gautam Rupak

Publications and source records attributed to Gautam Rupak.

At least 19 recordsLinked to original sources

arXiv2026

Training Quantum Dragons

The Non-Equilibrium Green's Function (NEGF) is the standard formalism for nano-scale electron transport. By recasting the NEGF scattering problem as a linear system of equations whose solution encodes the transmission and reflection amplitudes, we present the first quantum computerized implementation of NEGF. We apply both the Harrow--Hassidim--Lloyd and Variational Quantum Linear Solver algorithms to compute the transmission coefficient $T(E)$ of quantum dragon nanodevices within the single-band tight-binding model. Quantum dragon devices exhibit perfect transmission across the full conducting band regardless of internal disorder. The problem maps onto compact circuits of 3 and 4 total physical qubits for the 2-site and 6-site dragon devices, respectively. A similarity transformation block-diagonalizes the NEGF linear system reducing the Pauli decomposition of the block-encoded matrix. We demonstrate the feasibility of quantum computation by performing ideal and noise-aware simulations and computations on physical IBM quantum processor.

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arXiv2025

Quantum computation of mass gap in an asymptotically free theory

In relativistic field theories, the mass spectrum is given by the difference between the energy of the vacuum and the excited states. Near the continuum limit, the cancellation between these two values leads to loss of precision. We propose a method to extract the mass gap directly using quantum computers and apply it to a particular version of the nonlinear $σ$-model with the correct continuum limit and perform calculations in quantum hardware (at strong coupling) and simulation in classical computers (at weak coupling).

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arXiv2025

Precision calculation of $^3$He$(α,γ)^7$Be for solar physics

We calculate the cross section for radiative capture $^3$He$(α,γ)^7$Be at next-to-next-to-leading order (NNLO). At this order of perturbation, momentum dependent two-body currents make their first appearance. We provide a model-independent construction of these currents from gauge and Galilean invariance, where the general framework for constructing higher-order two-body currents in low-energy effective field theories becomes evident. The $^3$He$(α,γ)^7$Be astrophysical S-factor $S_{34}(0)= 0.564^{+0.17}_{-0.015}$ keV b is obtained from a Bayesian analysis at NNLO, with an additional nominal theoretical uncertainty $\pm0.017$ keV b of 3%.

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arXiv2025

Proton-proton scattering on a quantum computer

Scattering of charged particles is ubiquitous in nuclear physics. We calculate the proton-proton $s$-wave phase shift at low energy relevant to solar physics. The phase shift is calculated from the ratio of the regular and irregular solutions to the radial Schrödinger equation on a hard spherical wall boundary for the ground state. The ground state energy is calculated using a hybrid quantum-classical variational algorithm. A theory with short-ranged nuclear interaction in the presence of the long-ranged Coulomb force is used to describe the scattering. The theory is discretized on a spatial lattice for adaptation to the quantum computer in the second quantized language. The phase shifts at low momenta are accurately reproduced.

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arXiv2024

Coupled-channels treatment of $^7\mathrm{Be}(p,γ)^8\mathrm{B}$ in effective field theory

The E1 and M1 contributions to $^7\mathrm{Be}(p,γ)^8\mathrm{B}$ at low energies are calculated in halo effective field theory. The excited $^7\mathrm{Be}^\star$ core is included as an explicit degree of freedom in a coupled-channels calculation. The E1 transition is calculated up to next-to-next-to-leading order. The leading contribution from M1 transition that gives significant contribution in a narrow energy region around the $1^+$ resonance state of $^8$B is included. We compare our results with previous halo effective field theory calculations that also included the $^7\mathrm{Be}^\star$ as an explicit degree of freedom. We disagree with these previous calculations in both the formal expressions and also in the analysis. Bayesian inference of the data gives $S_{17}(0)=21.0(7)$ eV b when combined with the expected theory error.

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arXiv2024

Coupled-channel treatment of $^7\mathrm{Li}(n,γ)^8\mathrm{Li}$ in effective field theory

The E1 contribution to the capture reaction $^7\mathrm{Li}(n,γ)^8\mathrm{Li}$ is calculated at low energies. We employ a coupled-channel formalism to account for the $^7\mathrm{Li}^\star$ excited core contribution. We develop a halo effective field theory power counting where capture in the spin $S=2$ channel is enhanced over the $S=1$ channel. A next-to-leading order calculation is presented where the excited core contribution is shown to affect only the overall normalization of the cross section. The momentum dependence of the capture cross section, as a consequence, is the same in a theory with or without the excited $^7\mathrm{Li}^\star$ degree of freedom at this order of the calculation. The kinematical signature of the $^7\mathrm{Li}^\star$ core is negligible at momenta below 1 MeV and significant only beyond the $3^+$ resonance energy, though still compatible with a next-to-next-to-leading order correction. We compare our formalism with a previous halo effective field theory calculation [Zhang, Nollett, and Phillips, Phys. Rev. C 89, 024613 (2014)] that also treated the $^7\mathrm{Li}^\star$ core as an explicit degree of freedom. Our formal expressions and analysis disagree with this earlier work in several aspects.

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arXiv2024

Wavefunction matching for solving quantum many-body problems

Ab initio calculations play an essential role in our fundamental understanding of quantum many-body systems across many subfields, from strongly correlated fermions to quantum chemistry and from atomic and molecular systems to nuclear physics. One of the primary challenges is to perform accurate calculations for systems where the interactions may be complicated and difficult for the chosen computational method to handle. Here we address the problem by introducing a new approach called wavefunction matching. Wavefunction matching transforms the interaction between particles so that the wavefunctions up to some finite range match that of an easily computable interaction. This allows for calculations of systems that would otherwise be impossible due to problems such as Monte Carlo sign cancellations. We apply the method to lattice Monte Carlo simulations of light nuclei, medium-mass nuclei, neutron matter, and nuclear matter. We use high-fidelity chiral effective field theory interactions and find good agreement with empirical data. These results are accompanied by new insights on the nuclear interactions that may help to resolve long-standing challenges in accurately reproducing nuclear binding energies, charge radii, and nuclear matter saturation in ab initio calculations.

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arXiv2024

Elastic scattering on a quantum computer

Scattering probes the internal structure of quantum systems. We calculate the two-particle elastic scattering phase shift for a short-ranged interaction on a quantum computer. Short-ranged interactions with a large scattering length or shallow bound state describe a universality class that is of interest in atomic, condensed matter, nuclear, and particle physics. The phase shift is calculated by relating the ground state energy of the interacting particles in a harmonic trap. The relaxation method is used as the variational quantum eigensolver for the ground state calculation. Schmidt decomposition is used to reduce quantum circuits nominally requiring tens of qubits to 2-qubit circuits, thus reducing the noise in quantum measurements. Calculations in multi-particle systems with many-body interactions would benefit from this reduction of qubits in noisy quantum processors.

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arXiv2023

Quantum Information Science and Technology for Nuclear Physics. Input into U.S. Long-Range Planning, 2023

In preparation for the 2023 NSAC Long Range Plan (LRP), members of the Nuclear Science community gathered to discuss the current state of, and plans for further leveraging opportunities in, QIST in NP research at the Quantum Information Science for U.S. Nuclear Physics Long Range Planning workshop, held in Santa Fe, New Mexico on January 31 - February 1, 2023. The workshop included 45 in-person participants and 53 remote attendees. The outcome of the workshop identified strategic plans and requirements for the next 5-10 years to advance quantum sensing and quantum simulations within NP, and to develop a diverse quantum-ready workforce. The plans include resolutions endorsed by the participants to address the compelling scientific opportunities at the intersections of NP and QIST. These endorsements are aligned with similar affirmations by the LRP Computational Nuclear Physics and AI/ML Workshop, the Nuclear Structure, Reactions, and Astrophysics LRP Town Hall, and the Fundamental Symmetries, Neutrons, and Neutrinos LRP Town Hall communities.

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arXiv2022

Radiative processes on a quantum computer

Radiative processes, where a photon/neutrino is emitted as a result of a collision or decay of a particle, play a central role in atomic, nuclear and particle physics. Their rate is determined by certain off-diagonal matrix elements with different initial and final states. We propose a method to compute them using quantum computers. It relies on a single extra qubit that, in a certain sense, represents the photon/neutrino. The generic formula relating this matrix element to the amplitude and frequency of oscillations of the extra qubit follows simply in the near resonance case. We demonstrate the feasibility of the method by using it in actual quantum computations and simulations of simple systems.

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arXiv2020

From bound states to the continuum

This white paper reports on the discussions of the 2018 Facility for Rare Isotope Beams Theory Alliance (FRIB-TA) topical program "From bound states to the continuum: Connecting bound state calculations with scattering and reaction theory". One of the biggest and most important frontiers in nuclear theory today is to construct better and stronger bridges between bound state calculations and calculations in the continuum, especially scattering and reaction theory, as well as teasing out the influence of the continuum on states near threshold. This is particularly challenging as many-body structure calculations typically use a bound state basis, while reaction calculations more commonly utilize few-body continuum approaches. The many-body bound state and few-body continuum methods use different language and emphasize different properties. To build better foundations for these bridges, we present an overview of several bound state and continuum methods and, where possible, point to current and possible future connections.

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arXiv2019

Universal behavior of $p$-wave proton-proton fusion near threshold

We calculate the $p$-wave contribution to the proton-proton fusion $S$ factor and its energy derivative in pionless effective field theory (EFT) up to next-to-leading order. The leading contributions are given by a recoil piece from the Gamow-Teller and Fermi operators, and from relativistic $1/m$ suppressed weak interaction operators. We obtain the value of $(2.5\pm0.3 )\times 10^{-28}~\mathrm{MeV\ fm^2}$ for the $S$ factor and $(2.2\pm0.2) \times 10^{-26}~\mathrm{fm^2}$ for its energy derivative at threshold. These are smaller than the results of a prior study that employed chiral EFT by several orders of magnitude. We conclude that, contrary to what has been previously reported, the $p$-wave contribution does not need to be considered in a high-precision determination of the $S$ factor at astrophysical energies. Combined with the chiral EFT calculation of Acharya {\it et al.} [Phys. Lett. B \bf{760}, 584 (2016)] for the $s$-wave channel, this gives a total threshold $S$ factor of $S(0) = (4.047^{+0.024}_{-0.032}) \times 10^{-23}~{\rm MeV~fm}^2$.

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arXiv2019

Bayesian analysis of capture reactions $^3\mathrm{He}(α,γ)^7\mathrm{Be}$ and $^3\mathrm{H}(α,γ)^7\mathrm{Li}$

Bayesian analysis of the radiative capture reactions $^3\mathrm{He}(α,γ)^7\mathrm{Be}$ and $^3\mathrm{H}(α,γ)^7\mathrm{Li}$ are performed to draw inferences about the cross sections at threshold. We do a model comparison of two competing effective field theory power countings for the capture reactions. The two power countings differ in the contribution of two-body electromagnetic currents. In one power counting, two-body currents contribute at leading order, and in the other they contribute at higher orders. The former is favored for $^3\mathrm{He}(α,γ)^7\mathrm{Be}$ if elastic scattering data in the incoming channel is considered in the analysis. Without constraints from elastic scattering data, both the power countings are equally favored. For $^3\mathrm{H}(α,γ)^7\mathrm{Li}$, the first power counting with two-body current contributions at leading order is favored with or without constraints from elastic scattering data.

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arXiv2018

Fate of the neutron-deuteron virtual state as an Efimov level

The emergence of Efimov levels in a three-body system is investigated near the unitarity limit characterized by resonating two-body interaction. No direct evidence of Efimov levels is seen in the three-nucleon system since the triton is the only physical bound state. We provide a model-independent analysis of nucleon-deuteron scattering at low energy by formulating a consistent effective field theory. We show that virtual states evolve into shallow bound states, which emerge as excited triton levels as we drive the system towards unitarity. Even though we consider this specific system, our results for the emergence of the Efimov levels are universal.

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arXiv2018

Radiative 3He-alpha reaction in Halo Effective Field Theory

In this work we study the radiative capture of ${\rm {}^3He}$ on ${\rm {}^4He}$ within the halo effective field theory (EFT) framework. At leading order the capture amplitude comprises the initial state $s$-wave strong and Coulomb interactions summed to all orders. At the same order in the expansion, leading two-body currents contribute as well. We find delicate cancelations between the various contributions, and the two-body current contributions can be replaced by appropriately enhancing the asymptotic normalizations of the $^7$Be ground and first excited state wave functions. The next-to-leading order corrections come from the $s$-wave shape parameter and the pure Coulomb $d$-wave initial state interactions. We fit the EFT parameters to available scattering data and most recent capture data. Our zero-energy astrophysical $S$-factor estimate, $S_{34}\sim 0.55$ keV b, is consistent within error bars with the average in the literature.

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arXiv2017

Ab initio calculations of the isotopic dependence of nuclear clustering

Nuclear clustering describes the appearance of structures resembling smaller nuclei such as alpha particles (4He nuclei) within the interior of a larger nucleus. While clustering is important for several well-known examples, much remains to be discovered about the general nature of clustering in nuclei. In this letter we present lattice Monte Carlo calculations based on chiral effective field theory for the ground states of helium, beryllium, carbon, and oxygen isotopes. By computing model-independent measures that probe three- and four-nucleon correlations at short distances, we determine the shape of the alpha clusters and the entanglement of nucleons comprising each alpha cluster with the outside medium. We also introduce a new computational approach called the pinhole algorithm, which solves a long-standing deficiency of auxiliary-field Monte Carlo simulations in computing density correlations relative to the center of mass. We use the pinhole algorithm to determine the proton and neutron density distributions and the geometry of cluster correlations in 12C, 14C, and 16C. The structural similarities among the carbon isotopes suggest that 14C and 16C have excitations analogous to the well-known Hoyle state resonance in 12C.

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arXiv2017

Universal dimer-dimer scattering in lattice effective field theory

We consider two-component fermions with short-range interactions and large scattering length. This system has universal properties that are realized in several different fields of physics. In the limit of large fermion-fermion scattering length $a_\mathrm{ff}$ and zero-range interaction, all properties of the system scale proportionally with $a_\mathrm{ff}$. For the case with shallow bound dimers, we calculate the dimer-dimer scattering phase shifts using lattice effective field theory. We extract the universal dimer-dimer scattering length $a_\mathrm{dd}/a_\mathrm{ff}=0.618(30)$ and effective range $r_\mathrm{dd}/a_\mathrm{ff}=-0.431(48)$. This result for the effective range is the first calculation with quantified and controlled systematic errors. We also benchmark our methods by computing the fermion-dimer scattering parameters and testing some predictions of conformal scaling of irrelevant operators near the unitarity limit.

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arXiv2016

Nuclear binding near a quantum phase transition

How do protons and neutrons bind to form nuclei? This is the central question of ab initio nuclear structure theory. While the answer may seem as simple as the fact that nuclear forces are attractive, the full story is more complex and interesting. In this work we present numerical evidence from ab initio lattice simulations showing that nature is near a quantum phase transition, a zero-temperature transition driven by quantum fluctuations. Using lattice effective field theory, we perform Monte Carlo simulations for systems with up to twenty nucleons. For even and equal numbers of protons and neutrons, we discover a first-order transition at zero temperature from a Bose-condensed gas of alpha particles (4He nuclei) to a nuclear liquid. Whether one has an alpha-particle gas or nuclear liquid is determined by the strength of the alpha-alpha interactions, and we show that the alpha-alpha interactions depend on the strength and locality of the nucleon-nucleon interactions. This insight should be useful in improving calculations of nuclear structure and important astrophysical reactions involving alpha capture on nuclei. Our findings also provide a tool to probe the structure of alpha cluster states such as the Hoyle state responsible for the production of carbon in red giant stars and point to a connection between nuclear states and the universal physics of bosons at large scattering length.

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