Quantum Entrepreneurship Lab: Training a Future Workforce for the Quantum Industry
A. Sander, R. Cercola, A. Capogrosso, S. Filipp, B. Jobst, C. B. Mendl, F. Pollmann, C. Trummer, I. Welpe, M. Werninghaus, R. Wille, C. Wimmer
4th International Conference on Quantum Computing and Engineering-QCE-Annual 185-193 (2025).
The Quantum Entrepreneurship Lab (QEL) is a one-semester, project-based course at the Technical University of Munich (TUM), designed to bridge the gap between academic research and industrial application in the quantum sector. As part of the Munich Quantum Valley (MQV) ecosystem, the course fosters interdisciplinary collaboration between technical and business students, equipping them with the skills necessary to contribute to or lead in the emerging quantum industry. The QEL curriculum integrates two complementary tracks. First, technical students form teams where they engage in cutting-edge, industry-relevant research topics under academic supervision. Meanwhile business students in a parallel course explore commercialization strategies, risks, and opportunities within the quantum technology landscape. Midway through the semester, a selection of the business students join the technical course to form interdisciplinary teams which assess the feasibility of transforming scientific concepts into viable business solutions. The course culminates in three key deliverables: a publication-style technical report, a white paper analyzing the business potential and financial requirements, and a startup pitch presented to the quantum community at a Demo Day. This work outlines the course structure, objectives, and outcomes, providing a model for other institutions seeking to cultivate a highly skilled, innovation-driven workforce in quantum science and technology.
Riemannian quantum circuit optimization based on matrix product operators
I. N. M. Le, S. Sun, C. B. Mendl
Quantum 9, 8872 (2025).
We significantly enhance the simulation accuracy of initial Trotter circuits for Hamiltonian simulation of quantum systems by integrating first-order Riemannian optimization with tensor network methods. Unlike previous approaches, our method imposes no symmetry assumptions, such as translational invariance, on the quantum systems. This technique is scalable to large systems through the use of a matrix product operator representation of the optimization routine is applied to various spin chains and fermionic systems described by the transverse-field Ising Hamiltonian, the Heisenberg Hamiltonian, and the spinful Fermi-Hubbard Hamiltonian. In these cases, our approach achieves a relative error improvement of up to four orders of magnitude for systems of 50 qubits, although our method is also applicable to larger systems. Furthermore, we demonstrate the versatility of our method by applying it to molecconcept highlights the potential of our apsimulations.
Enhanced Krylov Methods for Molecular Hamiltonians: Reduced Memory Cost and Complexity Scaling via Tensor Hypercontraction
Y. Wang, M. Luo, M. Reumann, C. B. Mendl
Journal of Chemical Theory and Computation 21 (14), 6874-6886 (2025).
We introduce an algorithm that is simultaneously memory-efficient and low-scaling for applying ab initio molecular Hamiltonians to matrix-product states (MPS) via the tensor-hypercontraction (THC) format. These gains carry over to Krylov subspace methods, which can find low-lying eigenstates and simulate quantum time evolution while avoiding local minima and maintaining high accuracy. In our approach, the molecular Hamiltonian is represented as a sum of products of four MPOs, each with a bond dimension of only 2. Iteratively applying the MPOs to the current quantum state in MPS form, summing and recompressing the MPS leads to a scheme with the same asymptotic memory cost as the bare MPS and reduces the computational cost scaling compared to the Krylov method using a conventional MPO construction. We provide a detailed theoretical derivation of these statements and conduct supporting numerical experiments to demonstrate the advantage. Our algorithm is highly parallelizable and thus lends itself to large-scale HPC simulations.
Evaluating Ground State Energies of Chemical Systems with Low-Depth Quantum Circuits and High Accuracy
S. Sun, C. Kumar, K. Shen, E. Shishenina, C. B. Mendl
Journal of Physical Chemistry A 129 (10), 2379-2386 (2025).
Quantum computers have the potential to efficiently solve the electronic structure problem but are currently limited by noise and shallow circuits. We present an enhanced Variational Quantum Eigensolver (VQE) ansatz based on the Qubit Coupled Cluster (QCC) approach that requires optimization of only n parameters, where n is the number of Pauli string generators, rather than the typical n + 2m parameters, where m is the number of qubits. We evaluate the ground state energies and molecular dissociation curves of strongly correlated molecules, namely O3 and Li4, using active spaces of varying sizes in conjunction with our enhanced QCC ansatz, Unitary Coupled Cluster Single-Double (UCCSD) ansatz, and the classical Coupled Cluster Singles and Doubles (CCSD) method. Compared to UCCSD, our approach significantly reduces the number of parameters while maintaining high accuracy. Numerical simulations demonstrate the effectiveness of our approach, and experiments on superconducting and trapped-ion quantum computers showcase its practicality on real hardware. By eliminating the need for symmetry-restoring gates and reducing the number of parameters, our enhanced QCC ansatz enables accurate quantum chemistry calculations on near-term quantum devices for strongly correlated systems.
Classical simulation of quantum circuits using a multiqubit Bloch vector representation of density matrices
Q. S. Huang, C. B. Mendl
Physical Review A 105 (2), 22409 (2022).
"In the Bloch sphere picture, one finds the coefficients for expanding a single-qubit density operator in terms of the identity and Pauli matrices. A generalization to n qubits via tensor products represents a density operator by a real vector of length 4n, conceptually similar to a state vector. Here, we study this approach for the purpose of quantum circuit simulation, including noise processes. The tensor structure leads to computationally efficient algorithms for applying circuit gates and performing few-qubit quantum operations. In view of variational circuit optimization, we study ""backpropagation"" through a quantum circuit and gradient computation based on this representation, and generalize our analysis to the Lindblad equation for modeling the (nonunitary) time evolution of a density operator."
High-low pressure domain wall for the classical Toda lattice
C. Mendl, H. Spohn
Scipost Physics Core 5 (1), 2 (2022).
We study the classical Toda lattice with domain wall initial conditions, for which left and right half lattice are in thermal equilibrium but with distinct parameters of pressure, mean velocity, and temperature. In the hydrodynamic regime the respective space-time profiles scale ballisticly. The particular case of interest is a jump from low to high pressure at uniform temperature and zero mean velocity. Thereby the scaling function for the average stretch (also free volume) is forced to change sign. By direct inspection, the hydrodynamic equations for the Toda lattice seem to be singular at zero stretch. In our contribution we report on numerical solutions and convincingly establish that nevertheless the self-similar solution exhibits smooth behavior.
Quantum Algorithms for Solving Ordinary Differential Equations via Classical Integration Methods
B. Zanger, C.B. Mendl, M. Schulz, M. Schreiber
Quantum 5, 502 (2021).
Identifying computational tasks suitable for (future) quantum computers is an active field of research. Here we explore utilizing quantum computers for the purpose of solving differential equations. We consider two approaches: (i) basis encoding and fixed-point arithmetic on a digital quantum computer, and (ii) representing and solving high-order Runge-Kutta methods as optimization problems on quantum annealers. As realizations applied to two-dimensional linear ordinary differential equations, we devise and simulate corresponding digital quantum circuits, and implement and run a 6th order Gauss-Legendre collocation method on a D-Wave 2000Q system, showing good agreement with the reference solution. We find that the quantum annealing approach exhibits the largest potential for high-order implicit integration methods. As promising future scenario, the digital arithmetic method could be employed as an "oracle" within quantum search algorithms for inverse problems.
Efficient Numerical Evaluation of Thermodynamic Quantities on Infinite (Semi-)classical Chains
C.B. Mendl, F. Bornemann
Journal of Statistical Physics 182, 57 (2021).
This work presents an efficient numerical method to evaluate the free energy density and associated thermodynamic quantities of (quasi) one-dimensional classical systems, by combining the transfer operator approach with a numerical discretization of integral kernels using quadrature rules. For analytic kernels, the technique exhibits exponential convergence in the number of quadrature points. As demonstration, we apply the method to a classical particle chain, to the semiclassical nonlinear Schrödinger (NLS) equation and to a classical system on a cylindrical lattice. A comparison with molecular dynamics simulations performed for the NLS model shows very good agreement.
Coherent terahertz radiation from a nonlinear oscillator of viscous electrons
C.B. Mendl, M. Polini, A. Lucas
Applied Physics Letters 118, 013105 (2021).
Compressible electron flow through a narrow cavity is theoretically unstable, and the oscillations occurring during the instability have been proposed as a method of generating terahertz radiation. We numerically demonstrate that the end point of this instability is a nonlinear hydrodynamic oscillator, consisting of an alternating shock wave and rarefaction-like relaxation flowing back and forth in the device. This qualitative physics is robust to cavity inhomogeneity and changes in the equation of state of the fluid. We discuss the frequency and amplitude dependence of the emitted radiation on physical parameters (viscosity, momentum relaxation rate, and bias current) beyond linear response theory, providing clear predictions for future experiments.
NetKet: A machine learning toolkit for many-body quantum systems
G. Carleo, K. Choo, D. Hofmann, J. E. T. Smith, T. Westerhout, F. Alet, E. J. Davis, S. Efthymiou, I. Glasser, S. H. Lin, M. Mauri, G. Mazzola, C. B. Mendl, E. van Nieuwenburg, O. O'Reilly, H. Theveniaut, G. Torlai, F. Vicentini, A. Wietek
Softwarex 10, 100311 (2019).
We introduce NetKet, a comprehensive open source framework for the study of many-body quantum systems using machine learning techniques. The framework is built around a general and flexible implementation of neural-network quantum states, which are used as a variational ansatz for quantum wavefunctions. NetKet provides algorithms for several key tasks in quantum many-body physics and quantum technology, namely quantum state tomography, supervised learning from wavefunction data, and ground state searches for a wide range of customizable lattice models. Our aim is to provide a common platform for open research and to stimulate the collaborative development of computational methods at the interface of machine learning and many-body physics. (C) 2019 The Authors. Published by Elsevier B.V.