Ananth Kaushik

Protein folding on a 64 qubit trapped-ion hardware via counterdiabatic quantum optimization

Alejandro Gomez Cadavid [1,2], Pavle NikaÄ\udc8dević, Pranav Chandarana [1,2,3,4], Sebastián V. Romero, Enrique Solano [1], Narendra N. Hegade [1,5], Miguel Angel Lopez-Ruiz, Claudio Girotto, Hanna Linn, Hakan Doga, Evgeny Epifanovsky, Panagiotis Kl. Barkoutsos, Ananth Kaushik, Martin Roetteler

Abstract

We report the largest trapped-ion hardware demonstration of lattice protein-folding optimization to date, using bias-field digitized counterdiabatic quantum optimization (BF-DCQO) on a fully connected 64-qubit Barium development system similar to the forthcoming IonQ Tempo line. Six peptide sequences with 14-16 amino-acid residues are encoded using a coarse-grained tetrahedral lattice model, yielding higher-order spin-glass Hamiltonians with long-range interactions involving up to five-body terms and mapped to 46-61 qubits. The resulting instances are demanding for near-term quantum hardware because low-energy configurations must satisfy backbone-geometry constraints while optimizing dense residue-contact interactions. BF-DCQO uses a non-variational bias-feedback mechanism, where low-energy samples from each round define longitudinal fields that guide subsequent quantum evolutions. Across the studied instances, BF-DCQO shifts raw sampled energy distributions toward lower energies than uniform random sampling, with the strongest improvements appearing in residue-contact variables. To preserve this signal, we introduce a consensus-based post-processing pipeline that combines quantum-learned contact information with feasible backbone geometries. The resulting hybrid workflow reaches the classical reference energy in multiple instances and improves over the corresponding random-seeded pipeline. These results show that BF-DCQO can generate structured samples for dense protein-folding Hamiltonians at previously unexplored trapped-ion scales.

Hybrid Quantum-Classical Optimization Workflows for the Shipment Selection Problem

Miguel Angel Lopez-Ruiz, Daiwei Zhu, Jonas Hatzenbuhler, Shudian Zhao, Claudio Girotto, Willie Aboumrad, Jonas Alm, Julia Kompalla, Mena Issler, Ananth Kaushik, Martin Roetteler

Abstract

We present a quantum optimization framework for the Shipment Selection Problem (SSP) in electric freight logistics, developed jointly by IonQ and Einride. Idle gaps arising from stochastic shipment cancellations reduce fleet utilization and revenue; filling them optimally requires solving a combinatorial assignment problem with quadratic inter-gap dependencies. We formulate the SSP as a Mixed-Integer Quadratic Program, map it to an Ising cost Hamiltonian, and solve it using Iterative-QAOA, a non-variational warm-start extension of the Quantum Approximate Optimization Algorithm (QAOA) with a fixed linear-ramp parameter schedule. An end-to-end hybrid workflow integrates Einride's vehicle routing problem (VRP) solver with IonQ's quantum simulations, enabling evaluation on real, anonymized logistics data spanning up to 130 qubits. We assess solution quality through application-level performance metrics, including Shipments Delivered (SD), Schedule Compatibility Score (SCS), and Total Drive Distance (TDD). When the quantum assignment is passed to the classical solver as a warm start, the resulting hybrid workflow achieves improvements of up to 12% in SD and a reduction of up to 6% in total drive distance per shipment for specific instances, while total operational cost remains effectively unchanged. For the subset of instances within reach of current devices (20-35 qubits), the workflow is additionally executed on IonQ trapped-ion quantum hardware, where the hardware results closely reproduce the noiseless simulations. These results show that Iterative-QAOA can generate compatibility-aware assignments that become operationally valuable when embedded in a hybrid logistics optimization workflow.

Protein folding with an all-to-all trapped-ion quantum computer

Sebastián V. Romero, Alejandro Gomez Cadavid [1,2], Pavle NikaÄ\udc8dević, Enrique Solano [1], Narendra N. Hegade [1], Miguel Angel Lopez-Ruiz, Claudio Girotto, Masako Yamada, Panagiotis Kl. Barkoutsos, Ananth Kaushik, Martin Roetteler

Abstract

We experimentally demonstrate that the bias-field digitized counterdiabatic quantum optimization (BF-DCQO) algorithm, implemented on IonQ's fully connected trapped-ion quantum processors, offers an efficient approach to solving dense higher-order unconstrained binary optimization (HUBO) problems. Specifically, we tackle protein folding on a tetrahedral lattice for up to 12 amino acids, representing the largest quantum hardware implementations of protein folding problems reported to date. Additionally, we address MAX 4-SAT instances at the computational phase transition and fully connected spin-glass problems using all 36 available qubits. Across all considered cases, our method consistently achieves optimal solutions, highlighting the powerful synergy between non-variational quantum optimization approaches and the intrinsic all-to-all connectivity of trapped-ion architectures. Given the expected scalability of trapped-ion quantum systems, BF-DCQO represents a promising pathway toward practical quantum advantage for dense HUBO problems with significant industrial and scientific relevance.

Pathfinding Quantum Simulations of Neutrinoless Double-Beta Decay

Ivan A. Chernyshev [1], Roland C. Farrell [2], Marc Illa [3], Martin J. Savage [3,4], Andrii Maksymov, Felix Tripier [4], Miguel Angel Lopez-Ruiz [4], Andrew Arrasmith [4], Yvette de Sereville [4], Aharon Brodutch [4], Claudio Girotto [4], Ananth Kaushik [4], Martin Roetteler [4]

Abstract

We present results from co-designed quantum simulations of the neutrinoless double-beta decay of a simple nucleus in 1+1D quantum chromodynamics using IonQ's Forte-generation trapped-ion quantum computers. Electrons, neutrinos, and up and down quarks are distributed across two lattice sites and mapped to 32 qubits, with an additional 4 qubits used for flag-based error mitigation. A four-fermion interaction is used to implement weak interactions, and lepton-number violation is induced by a neutrino Majorana mass. Quantum circuits that prepare the initial nucleus and time evolve with the Hamiltonian containing the strong and weak interactions are executed on IonQ Forte Enterprise. Enabled by tuned model parameters, lepton-number violation is observed in real time, providing a clear signal of neutrinoless double-beta decay. This was made possible by co-designing the simulation to maximally utilize the all-to-all connectivity and native gate-set available on IonQ's quantum computers. Quantum circuit compilation techniques and co-designed error-mitigation methods, informed from executing benchmarking circuits with up to 2,356 two-qubit gates, enabled observables to be extracted with high precision. We discuss the potential of future quantum simulations to provide yocto-second resolution of the reaction pathways in these, and other, nuclear processes.

Quantum Computing for Optimizing Aircraft Loading

Ananth Kaushik [1], Sang Hyub Kim [1], Willie Aboumrad [1], Martin Roetteler [1], Albana Topi [2], Richard Ashworth [3]

Abstract

The aircraft loading optimization problem is a computationally hard problem with the best known classical algorithm scaling exponentially with the number of objects. We propose a quantum approach based on a multi-angle variant of the QAOA algorithm (Multi-Angle Layered Variational Quantum Algorithm (MAL-VQA)) designed to utilize a smaller number of two qubit gates in the quantum circuit as compared to the standard QAOA algorithm so that the quantum optimization algorithm can be run on near-term ion-trap quantum processing units (QPU). We also describe a novel cost function implementation that can handle many different types of inequality constraints without the overhead of introducing slack variables in the quantum circuit so that larger problems with complex constraints may be represented on near-term QPUs which have low qubit counts. We demonstrate the performance of the algorithm on different instances of the aircraft loading problem by execution on IonQ QPUs Aria and Forte. Our experiments obtain the optimal solutions for all the problem instances studied ranging from 12 qubits to 28 qubits. This shows the potential scalability of the method to significantly larger problem sizes with the improvement of quantum hardware in the near future as well as the robustness of the quantum algorithm against varying initial guesses and varying constraints of different problem instances.

Performant near-term quantum combinatorial optimization

Titus D. Morris, Ananth Kaushik [2], Martin Roetteler [2], Phillip C. Lotshaw [1]

Abstract

Combinatorial optimization is a promising application for near-term quantum computers, however, identifying performant algorithms suited to noisy quantum hardware remains as an important goal to potentially realizing quantum computational advantages. To address this we present a variational quantum algorithm for solving combinatorial optimization problems with linear-depth circuits. Our algorithm uses an ansatz composed of Hamiltonian generators designed to control each term in the target combinatorial function, along with parameter updates following a modified version of quantum imaginary time evolution. We evaluate this ansatz in numerical simulations that target solutions to the MAXCUT problem. The state evolution is shown to closely mimic imaginary time evolution, and its optimal-solution convergence is further improved using adaptive transformations of the classical Hamiltonian spectrum. With these innovations, the algorithm consistently converges to optimal solutions, with interesting highly-entangled dynamics along the way. We further demonstrate the success of this approach by performing optimization of a truncated version of our ansatz with up to 32 qubits in a trapped-ion quantum computer, using measurements from the quantum computer to train the ansatz and prepare optimal solutions with high fidelity in the majority of cases we consider. The success of these large-scale quantum circuit optimizations, in the presence of realistic hardware constraints and without error mitigation, mark significant progress on the path towards solving combinatorial problems using quantum computers. We conclude our performant and resource-minimal approach is a promising candidate for potential quantum computational advantages.

Simulating the flight gate assignment problem on a trapped ion quantum computer

Yahui Chai [1], Evgeny Epifanovsky [2], Karl Jansen [1,3], Ananth Kaushik [2,1], Stefan Kühn

Abstract

We study the flight gate assignment problem on IonQ's Aria trapped ion quantum computer using the variational quantum eigensolver. Utilizing the conditional value at risk as an aggregation function, we demonstrate that current trapped ion quantum hardware is able to obtain good solutions for this combinatorial optimization problem with high probability. In particular, we run the full variational quantum eigensolver for small instances and we perform inference runs for larger systems, demonstrating that current and near-future quantum hardware is suitable for addressing combinatorial optimization problems.