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DOE OSTI2024

Quantum Theory, Quantum Materials, Quantum Computing

The Sanibel Symposium series is renowned amongst materials theorists, quantum chemists, and condensed matter physicists as meetings driving progress on theory, mod eling, and simulation of materials and their molecular and nano-scale constituents. The Symposia are highly unusual (perhaps unique) in their priority emphasis on theory and computation, in having no parallel sessions, in cultivating well-attended Hot-Topic contributed oral sessions, and accessible poster sessions. These provide highly visible, influential platforms for cross-fertilization among specialist investigators, hence are strong contributors to the advance of quantum information sciences (QIS) research of strategic importance to the Office of Basic Energy Sciences (BES). As part of a five-year plan to highlight QIS challenges and opportunities and foster progress on them, each of the pre ceding three Sanibel Symposia had a thematic focus, Quantum Theory, Quantum Materi als, Quantum Computing, as a major program component. Emphasis was on quantum materials and their molecular constituents. The award for 2024 was for year four of that sustained thematic focus.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Symposium: Quantum Theory, Quantum Materials, Quantum Computing (Final Report, DE-SC0022551)

Quantum mechanics is fundamental to understanding, predicting, and controlling many physical processes in a vast range of scientific and technological areas. In molecules and materials, the quantum mechanics of Coulombic many-body systems determines far more than the ground state and bulk properties. Quantum mechanics governs magnetism, electron and spin transport, chemical reactions and catalysis, superconductivity, photosynthesis, etc. Each plays a vital role in modern society. As digital technologies push both temporal and length-scale limits, fundamental quantum principles become the current focus for a new class of technologies: quantum computing, quantum sensing, quantum encryption, etc. This oncoming quantum information sciences wave is manifest recently in frontier foci of all six Department of Energy Office of Science programs. The Sanibel Symposium offers a proven, influential platform for facilitating and advancing cross-fertilization among theoretical and computational chemists and physicists, computer scientists, and materials engineers. The Symposia have a long, successful record of driving progress on theory and computation of materials, nanostructures, and their molecular constituents. The Symposia thus are well-suited for advancing the quantum information science thrust in the Office of Basic Energy Sciences (BES). With that QIS thrust as the focus, we propose five sessions of the 61st Sanibel Symposium on the theme Quantum Theory, Quantum Materials, Quantum Computing. From a longer perspective, this thematic program for 2022 is the second year of a five year plan of program segments addressed at challenges in quantum information sciences and quantum materials. The rest of the Symposium program will be of considerable relevance, with, for example, sessions on quantum molecular and material dynamics, and new directions in coupled cluster theory. New ideas for methods and applications can be expected to emerge from the stimulus of the formal presentations and informal discussions. The proposed award is targeted at students, post-docs, and junior scientists. Conscious effort, characteristic of the Sanibel Symposia, to stimulate the participation of women and under-represented minorities will continue.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Topics in String Theory, Quantum Field Theory And Quantum Gravity

This is the final technical report for DOE Award No. DE-SC0021528 - Topics in string theory, quantum field theory and quantum gravity. The goals of the research program were in three areas - understanding quantum gravity and the internal description of quantum systems using the gauge/gravity correspondence, aspects of entanglement in eld theory, gravity and string theory, and the characterization of the behavior of strongly interacting quantum eld theories. The primary results were on the microscopic understanding of the ER=EPR correspondence as a string duality, and on a matrix model description of the addition of end of the world branes and propagating matter to two dimensional Jackiw-Teitelboim gravity. The former led to the completion of the work shortly after the end of the reporting period and continuing work investigating the properties of the associated stringy black hole microstates. The latter led to the work, which also appeared shortly after the end of the reporting period, and a continuing project to nd a matrix model formulation of the eigenstate thermalization hypothesis and JT gravity with propagating matter.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Dissipative time-dependent quantum transport theory: Quantum interference and phonon induced decoherence dynamics

A time-dependent inelastic electron transport theory for strong electron-phonon interaction is established via the equations of motion method combined with the small polaron transformation. In this work, the dissipation via electron-phonon coupling is taken into account in the strong coupling regime, which validates the small polaron transformation. The corresponding equations of motion are developed, which are used to study the quantum interference effect and phonon-induced decoherence dynamics in molecular junctions. Numerical studies show clearly quantum interference effect of the transport electrons through two quasi-degenerate states with different couplings to the leads. We also found that the quantum interference can be suppressed by the electron-phonon interaction where the phase coherence is destroyed by phonon scattering. This indicates the importance of electron-phonon interaction in systems with prominent quantum interference effect.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Experimental Limit on Nonlinear State-Dependent Terms in Quantum Theory

Linear time evolution is one of the fundamental postulates of quantum theory. Past theoretical attempts to introduce nonlinearity into quantum evolution have violated causality. However, a recent theory has introduced nonlinear state-dependent terms in quantum field theory, preserving causality [D. E. Kaplan and S. Rajendran, Phys. Rev. D 105, 055002 (2022)]. We report the results of an experiment that searches for such terms. Our approach, inspired by the Everett many-worlds interpretation of quantum theory, correlates a binary macroscopic classical voltage with the outcome of a projective measurement of a quantum bit, prepared in a coherent superposition state. Measurement results are recorded in a bit string, which is used to control a voltage switch. Presence of a nonzero voltage reading in cases of no applied voltage is the experimental signature of a nonlinear state-dependent shift of the electromagnetic field operator. We implement blinded measurement and data analysis with three control bit strings. Control of systematic effects is realized by producing one of the control bit strings with a classical random-bit generator. The other two bit strings are generated by measurements performed on a superconducting qubit in an IBM Quantum processor and on a N 15 nuclear spin in a nitrogen-vacancy center in diamond. Our measurements find no evidence for electromagnetic quantum state-dependent nonlinearity. We set a bound on the parameter that quantifies this nonlinearity | ε γ | < 4.7 × 10 - 11 , at 90% confidence level.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Quantum Theory of the Classical: Einselection, Envariance, Quantum Darwinism and Extantons

Core quantum postulates including the superposition principle and the unitarity of evolutions are natural and strikingly simple. I show that—when supplemented with a limited version of predictability (captured in the textbook accounts by the repeatability postulate)—these core postulates can account for all the symptoms of classicality. In particular, both objective classical reality and elusive information about reality arise, via quantum Darwinism, from the quantum substrate. This approach shares with the Relative State Interpretation of Everett the view that collapse of the wavepacket reflects perception of the state of the rest of the Universe relative to the state of observer’s records. However, our “let quantum be quantum” approach poses questions absent in Bohr’s Copenhagen Interpretation that relied on the preexisting classical domain. Thus, one is now forced to seek preferred, predictable, hence effectively classical but ultimately quantum states that allow observers keep reliable records. Without such (i) preferred basis relative states are simply “too relative”, and the ensuing basis ambiguity makes it difficult to identify events (e.g., measurement outcomes). Moreover, universal validity of quantum theory raises the issue of (ii) the origin of Born’s rule, p k =|ψ k | 2 , relating probabilities and amplitudes (that is simply postulated in textbooks). Last not least, even preferred pointer states (defined by einselection—environment—induced superselection)—are still quantum. Therefore, unlike classical states that exist objectively, quantum states of an individual system cannot be found out by an initially ignorant observer through direct measurement without being disrupted. So, to complete the ‘quantum theory of the classical’ one must identify (iii) quantum origin of objective existence and explain how the information about objectively existing states can appear to be essentially inconsequential for them (as it does for states in Newtonian physics) and yet matter in other settings (e.g., thermodynamics). I show how the mathematical structure of quantum theory supplemented by the only uncontroversial measurement postulate (that demands immediate repeatability—hence, predictability) leads to preferred states. These (i) pointer states correspond to measurement outcomes. Their stability is a prerequisite for objective existence of effectively classical states and for events such as quantum jumps. Events at hand, one can now enquire about their probability—the probability of a pointer state (or of a measurement record). I show that the symmetry of entangled states—(ii) entanglement—assisted invariance or envariance—implies Born’s rule. Envariance also accounts for the loss of phase coherence between pointer states. Thus, decoherence can be traced to symmetries of entanglement and understood without its usual tool—reduced density matrices. A simple and manifestly noncircular derivation of p k =|ψ k | 2 follows. Monitoring of the system by its environment in course of decoherence typically leaves behind multiple copies of its pointer states in the environment. Only pointer states can survive decoherence and can spawn such plentiful information-theoretic progeny. This (iii) quantum Darwinism allows observers to use environment as a witness—to find out pointer states indirectly, leaving systems of interest untouched. Quantum Darwinism shows how epistemic and ontic (coexisting in epiontic quantum state) separate into robust objective existence of pointer states and detached information about them, giving rise to extantons—composite objects with system of interest in the core and multiple records of its pointer states in the halo comprising of environment subsystems (e.g., photons) which disseminates that information throughout the Universe.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Is Quantum Gravity a Super-Quantum Theory?

In this study, we argue that quantum gravity should be a super-quantum theory, that is, a theory whose nonlocal correlations are stronger than those of canonical quantum theory. As a super-quantum theory, quantum gravity should display distinct experimentally observable super-correlations of entangled stringy states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Large scale multi-node simulations of $\mathbb{Z}_2$ gauge theory quantum circuits using Google Cloud Platform

Simulating quantum field theories on a quantum computer is one of the most exciting fundamental physics applications of quantum information science. Dynamical time evolution of quantum fields is a challenge that is beyond the capabilities of classical computing, but it can teach us important lessons about the fundamental fabric of space and time. Whether we may answer scientific questions of interest using near-term quantum computing hardware is an open question that requires a detailed simulation study of quantum noise. Here we present a large scale simulation study powered by a multi-node implementation of qsim using the Google Cloud Platform. We additionally employ newly-developed GPU capabilities in qsim and show how Tensor Processing Units -- Application-specific Integrated Circuits (ASICs) specialized for Machine Learning -- may be used to dramatically speed up the simulation of large quantum circuits. We demonstrate the use of high performance cloud computing for simulating $\mathbb{Z}_2$ quantum field theories on system sizes up to 36 qubits. We find this lattice size is not able to simulate our problem and observable combination with sufficient accuracy, implying more challenging observables of interest for this theory are likely beyond the reach of classical computation using exact circuit simulation.

Gustafson, Erik↗
DOE OSTI2014

Quantum mechanical effects from deformation theory

We consider deformations of quantum mechanical operators by using the novel construction tool of warped convolutions. The deformation enables us to obtain several quantum mechanical effects where electromagnetic and gravitomagnetic fields play a role. Furthermore, a quantum plane can be defined by using the deformation techniques. This in turn gives an experimentally verifiable effect.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Single-photon test of hyper-complex quantum theories using a metamaterial

In standard quantum mechanics, complex numbers are used to describe the wavefunction. Although this has so far proven sufficient to predict experimental results, there is no theoretical reason to choose them over real numbers or generalizations of complex numbers, that is, hyper-complex numbers. Experiments performed to date have proven that real numbers are insufficient, but the need for hyper-complex numbers remains an open question. Here we experimentally probe hyper-complex quantum theories, studying one of their deviations from complex quantum theory: the non-commutativity of phases. We do so by passing single photons through a Sagnac interferometer containing both a metamaterial with a negative refractive index, and a positive phase shifter. In order to accomplish this we engineered a fishnet metamaterial to have a negative refractive index at 780 nm. Here, we show that the metamaterial phase commutes with other phases with high precision, allowing us to place limits on a particular prediction of hyper-complex quantum theories.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Quantum Theory of Surface Lattice Resonances

The collective interactions of nanoparticles arranged in periodic structures give rise to high‐ in‐plane diffractive modes known as surface lattice resonances. Although these resonances and their broader implications have been extensively studied within the framework of classical electrodynamics and linear response theory, a quantum optical theory capable of describing the dynamics of these structures, especially in the presence of material nonlinearities beyond ad hoc few‐mode approximations, is largely missing. To this end, we consider a lattice of metallic nanoparticles coupled to the electromagnetic field and derive the quantum input–output relations within the electric dipole approximation. As applications, we analyze coupling between the nanoparticle array and external quantum emitters, and show how the formalism extends to molecular optomechanics, where the high ‐factors of SLRs enable coupling to collective vibrational modes. We further consider arrays composed of saturable excitonic emitters, demonstrating how emitter nonlinearities can be used to switch the SLR condition between electronic transitions. Using a perturbative approach that accounts for population dynamics, we show how these effects can be probed in pump–probe experiments and give rise to nonlinear phase‐matching phenomena. Our work provides a microscopic framework for modeling SLRs interacting with quantum emitters without phenomenological descriptions of the electromagnetic environment.

molecular optomechanics↗
DOE OSTI2018

Quantum theory of the classical: quantum jumps, Born’s Rule and objective classical reality via quantum Darwinism

Here, the emergence of the classical world from the quantum substrate of our Universe is a long-standing conundrum. In this paper, I describe three insights into the transition from quantum to classical that are based on the recognition of the role of the environment. I begin with the derivation of preferred sets of states that help to define what exists—our everyday classical reality. They emerge as a result of the breaking of the unitary symmetry of the Hilbert space which happens when the unitarity of quantum evolutions encounters nonlinearities inherent in the process of amplification—of replicating information. This derivation is accomplished without the usual tools of decoherence, and accounts for the appearance of quantum jumps and the emergence of preferred pointer states consistent with those obtained via environment-induced superselection, or einselection . The pointer states obtained in this way determine what can happen—define events—without appealing to Born’s Rule for probabilities. Therefore, p k = |ψ k | 2 can now be deduced from the entanglement-assisted invariance, or envariance —a symmetry of entangled quantum states. With probabilities at hand, one also gains new insights into the foundations of quantum statistical physics. Moreover, one can now analyse the information flows responsible for decoherence. These information flows explain how the perception of objective classical reality arises from the quantum substrate: the effective amplification that they represent accounts for the objective existence of the einselected states of macroscopic quantum systems through the redundancy of pointer state records in their environment—through quantum Darwinism .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Topos quantum theory on quantization-induced sheaves

In this paper, we construct a sheaf-based topos quantum theory. It is well known that a topos quantum theory can be constructed on the topos of presheaves on the category of commutative von Neumann algebras of bounded operators on a Hilbert space. Also, it is already known that quantization naturally induces a Lawvere-Tierney topology on the presheaf topos. We show that a topos quantum theory akin to the presheaf-based one can be constructed on sheaves defined by the quantization-induced Lawvere-Tierney topology. That is, starting from the spectral sheaf as a state space of a given quantum system, we construct sheaf-based expressions of physical propositions and truth objects, and thereby give a method of truth-value assignment to the propositions. Furthermore, we clarify the relationship to the presheaf-based quantum theory. We give translation rules between the sheaf-based ingredients and the corresponding presheaf-based ones. The translation rules have “coarse-graining” effects on the spaces of the presheaf-based ingredients; a lot of different proposition presheaves, truth presheaves, and presheaf-based truth-values are translated to a proposition sheaf, a truth sheaf, and a sheaf-based truth-value, respectively. We examine the extent of the coarse-graining made by translation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Finite Mathematics, Finite Quantum Theory and a Conjecture on the Nature of Time

We first give a rigorous mathematical proof that classical mathematics (involving such notions as infinitely small/large, continuity etc.) is a special degenerate case of finite one in the formal limit when the characteristic p of the field or ring in finite mathematics goes to infinity. We consider a finite quantum theory (FQT) based on finite mathematics and prove that standard continuous quantum theory is a special case of FQT in the formal limit p→∞. The description of states in standard quantum theory contains a big redundancy of elements: the theory is based on real numbers while with any desired accuracy the states can be described by using only integers, i.e. rational and real numbers play only auxiliary role. Therefore, in FQT infinities cannot exist in principle, FQT is based on a more fundamental mathematics than standard quantum theory and the description of states in FQT is much more thrifty than in standard quantum theory. Space and time are purely classical notions and are not present in FQT at all. In the present paper we discuss how classical equations of motions arise as a consequence of the fact that p changes, i.e. p is the evolution parameter. It is shown that there exist scenarios when classical equations of motion for cosmological acceleration and gravity can be formulated exclusively in terms of quantum quantities without using space, time and standard semiclassical approximation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Quantum theory as the most robust description of reproducible experiments

It is shown that the basic equations of quantum theory can be obtained from a straightforward application of logical inference to experiments for which there is uncertainty about individual events and for which the frequencies of the observed events are robust with respect to small changes in the conditions under which the experiments are carried out. - Highlights: • It is shown that logical inference, that is, inductive reasoning, provides a rational explanation for the success of quantum theory. • The Schrödinger equation is obtained through logical inference applied to robust experiments. • The singlet and triplet states follow from logical inference applied to the Einstein-Podolsky-Rosen-Bohm experiment. • Robustness also leads to the quantum theoretical description of the Stern-Gerlach experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A new look at the position operator in quantum theory

The postulate that coordinate and momentum representations are related to each other by the Fourier transform has been accepted from the beginning of quantum theory by analogy with classical electrodynamics. As a consequence, an inevitable effect in standard theory is the wave packet spreading (WPS) of the photon coordinate wave function in directions perpendicular to the photon momentum. This leads to the following paradoxes: if the major part of photons emitted by stars are in wave packet states (what is the most probable scenario) then we should see not separate stars but only an almost continuous background from all stars; no anisotropy of the CMB radiation should be observable; data on gamma-ray bursts, signals from directional radio antennas (in particular, in experiments on Shapiro delay) and signals from pulsars show no signs of WPS. In addition, a problem arises why there are no signs of WPS for protons in the LHC ring. We argue that the above postulate is based neither on strong theoretical arguments nor on experimental data and propose a new consistent definition of the position operator. Then WPS in directions perpendicular to the particle momentum is absent and the paradoxes are resolved. Different components of the new position operator do not commute with each other and, as a consequence, there is no wave function in coordinate representation. Implications of the results for entanglement, quantum locality and the problem of time in quantum theory are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Quantum theory as a description of robust experiments: Derivation of the Pauli equation

It is shown that the Pauli equation and the concept of spin naturally emerge from logical inference applied to experiments on a charged particle under the conditions that (i) space is homogeneous (ii) the observed events are logically independent, and (iii) the observed frequency distributions are robust with respect to small changes in the conditions under which the experiment is carried out. The derivation does not take recourse to concepts of quantum theory and is based on the same principles which have already been shown to lead to e.g. the Schrödinger equation and the probability distributions of pairs of particles in the singlet or triplet state. Application to Stern–Gerlach experiments with chargeless, magnetic particles, provides additional support for the thesis that quantum theory follows from logical inference applied to a well-defined class of experiments. - Highlights: • The Pauli equation is obtained through logical inference applied to robust experiments on a charged particle. • The concept of spin appears as an inference resulting from the treatment of two-valued data. • The same reasoning yields the quantum theoretical description of neutral magnetic particles. • Logical inference provides a framework to establish a bridge between objective knowledge gathered through experiments and their description in terms of concepts.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗