arXiv subjects

Marius Bothe

Publications and source records attributed to Marius Bothe.

8 recordsLinked to original sources

arXiv2026

More efficient Clifford+T synthesis for small-angle rotations and application to Trotterization

Clifford+T synthesis of rotation gates is an important routine in fault-tolerant quantum compilation. While Clifford+T synthesis is scalable, it has a high overhead of tens of T gates per rotation in practice, translating to high resource estimates for many fault-tolerant algorithms. However, these well-known results, including those using probabilistic mixtures [Quantum 7, 1208 (2023)], are independent of the rotation angle $\theta$, requiring $O(\log 1/\delta)$ T gates. We show that it is possible to do much better for small angles, reducing the T cost to $\tilde{O}(\theta^2/\delta)$, and returning to existing $O(\log1/\delta)$ results in the worst case. This is particularly important since many algorithms, such as Trotterization, are dominated by small-angle rotations. Further, we perform a detailed theoretical and numerical study of quasi-probabilities, which can further reduce the total T cost of large circuits by orders of magnitude with only a small overhead in sample complexity. We also develop a scheme based on quasi-probability mixtures of Clifford+T fallback channels. We derive new $\theta$-dependent formulas that can be used for resource estimation of fault-tolerant quantum algorithms. As an application of our results, we show that the gate cost of Trotterization circuits compiled to a Clifford+T gate set is constant in the small Trotter step size limit, and can be reduced by orders of magnitude even for large step sizes. The cost of fault-tolerant Trotterization for a variety of applications should be re-examined in light of these results. Our work dispels the widely-stated claim that Clifford+T rotation synthesis has a high cost independent of $\theta$, and further develops a scalable quasi-probability method for rotation synthesis. We also expect our results to bring forward useful early fault-tolerant quantum computing by reducing required magic state resources.

quant-ph↗

arXiv2026

Effective attraction by repulsion

Repulsive self-propelled particles tend to cluster, leading to Motility-Induced Phase Separation (MIPS). By analogy with equilibrium phase separation, the onset of MIPS has been associated with a transition to effective attraction between particles. Using an exact microscopic theory, we quantify the emergence of effective attraction in a minimal model: two soft run-and-tumble particles in a periodic domain. We show that, as repulsion increases, the leading-order behaviour is that of effective repulsion, while effective attraction emerges as a higher-order contribution to the renormalisation of the pair potential.

cond-mat.stat-mech↗

arXiv2026

Microscopic theory of soft run-and-tumble particles

Soft, repulsive run-and-tumble particles display emergent effective interactions as they appear to stick to each other in spite of the absence of attractive forces. This effective attraction emerges at strong enough repulsion and large self-propulsion. Complementing a companion paper that characterises effective attraction between two soft run-and-tumble particles [Garcia-Millan et al., Effective attraction by repulsion (2026)], here we provide a thorough derivation of our microscopic theory, which is an exact representation of the particle dynamics. We report the systematic calculation of the effective interaction vertices iteratively, in a perturbation expansion about the interaction couplings, by adding, order by order, loop corrections. We use the effective interaction vertices to calculate the two-point correlation function, fully characterising the stationary state. Other observables, such as the structure factor, overlap probability and entropy production rate are calculated as well.

cond-mat.stat-mech↗

arXiv2025

Eph-ephrin-mediated differential persistence as a mechanism for cell sorting

The phenomenon of cell sorting/segregation, by which cells organise spatially into clusters of specific cell type or function, is essential for tissue morphogenesis. This self-organization process involves an interplay between mechanical, biochemical, and cellular mechanisms that act across various spatial and temporal scales. Several mechanisms for cell sorting have been proposed; however, the physical nature of these mechanisms and how they lead to symmetric or asymmetric cell sorting remains unclear. Here, using experimental data from cocultures of genetically modified Human Embryonic Kidney (HEK293) cells and numerical simulations, we show the existence of a cell sorting mechanism based on transient increases in the persistence of motion of cells. This mechanism is activated on cells overexpressing the ephrinB1-related receptor EphB2 after their interaction with cells overexpressing ephrinB1. We show that this mechanism is sufficient to cause cell sorting, breaking the symmetry of the sorting dynamics, and show that the duration of this transient differential persistence state is optimal for enhancing sorting. Furthermore, we show that in combination with other interaction mechanisms, such as changes in direction-also known as contact inhibition of locomotion-and adhesion forces, differential persistence significantly reduces the timescale of sorting. Our findings offer insights into the behaviour of cell mixtures, the relevance of non-reciprocal interactions, and may provide insight into developmental processes and tissue patterning.

physics.bio-ph↗

arXiv2024

Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis Set

Quantum simulation of materials is a promising application area of quantum computers. To practically realize this promise, we must reduce quantum resources while maintaining accuracy. In electronic structure calculations on classical computers, resource reduction has been achieved by using the projector augmented-wave method (PAW) and plane wave basis sets. However, the PAW method generalized for many-body states introduces non-orthogonality effects which impede its direct application to quantum computing. In this work, we develop a unitary variant of the PAW (UPAW) that preserves the orthogonality constraints. We provide a linear-combination-of-unitaries decomposition of the UPAW Hamiltonian to enable ground state estimation using qubitized quantum phase estimation. Additionally, we further improve algorithmic efficiency by extending classical down-sampling techniques into the quantum setting. We then estimate quantum resources for crystalline solids to estimate the energy within chemical accuracy with respect to the full basis set limit, and also consider a supercell approach which is more suitable for calculations of defect states. We provide the quantum resources for energy estimation of a nitrogen-vacancy defect centre in diamond which is a challenging system for classical algorithms and a quintessential problem in the studies of quantum point defects.

quant-ph↗

arXiv2024

Quantum Simulations of Chemistry in First Quantization with any Basis Set

Quantum computation of the energy of molecules and materials is one of the most promising applications of fault-tolerant quantum computers. Practical applications require development of quantum algorithms with reduced resource requirements. Previous work has mainly focused on quantum algorithms where the Hamiltonian is represented in second quantization with compact basis sets while existing methods in first quantization are limited to a grid-based basis. In this work, we present a new method to solve the generic ground-state chemistry problem in first quantization using any basis set. We achieve asymptotic speedup in Toffoli count for molecular orbitals, and orders of magnitude improvement using dual plane waves as compared to the second quantization counterparts. In some instances, our approach provides similar or even lower resources compared to previous first quantization plane wave algorithms that, unlike our approach, avoids the loading of the classical data. The developed methodology can be applied to variety of applications, where the matrix elements of a first quantized Hamiltonian lack simple circuit representation.

quant-ph↗

arXiv2022

Particle Entity in the Doi-Peliti and Response Field Formalisms

We introduce a procedure to test a theory for point particle entity, that is, whether said theory takes into account the discrete nature of the constituents of the system. We then identify the mechanism whereby particle entity is enforced in the context of two field-theoretic frameworks designed to incorporate the particle nature of the degrees of freedom, namely the Doi-Peliti field theory and the response field theory that derives from Dean's equation. While the Doi-Peliti field theory encodes the particle nature at a very fundamental level that is easily revealed, demonstrating the same for Dean's equation is more involved and results in a number of surprising diagrammatic identities. We derive those and discuss their implications. These results are particularly pertinent in the context of active matter, whose surprising and often counterintuitive phenomenology rests wholly on the particle nature of the agents and their degrees of freedom as particles.

cond-mat.stat-mech↗

arXiv2021

Field Theory of free Active Ornstein-Uhlenbeck Particles

We derive a Doi-Peliti field theory for free active Ornstein-Uhlenbeck particles, or, equivalently, free inertial Brownian particles, and present a way to diagonalise the Gaussian part of the action and calculate the propagator. Unlike previous course-grained approaches this formulation correctly tracks particle identity and yet can easily be expanded to include potentials and arbitrary reactions.

cond-mat.stat-mech↗