Related papers: Quantum Field Approaches to Chemical Systems
The so-called measurement problem of quantum theory (QT) is still lacking a satisfactory, or at least widely agreed upon, solution. A number of theories, known as interpretations of quantum theory, have been proposed and found differing…
Quantum Field Theory (QFT) forms the bedrock of the Standard Model (SM) of particle physics, a powerful framework that delineates the fundamental constituents and interactions of the universe. However, the SM's narrative is incomplete, as…
Because the subject of relativistic quantum field theory (QFT) contains all of non-relativistic quantum mechanics, we expect quantum field computation to contain (non-relativistic) quantum computation. Although we do not yet have a quantum…
We present QDK/Chemistry, a software toolkit for quantum chemistry workflows targeting quantum computers. The toolkit addresses a key challenge in the field: while quantum algorithms for chemistry have matured considerably, the…
This paper presents a research program aimed at establishing relational foundations for relativistic quantum physics. Although the formalism is still under development, we believe it has matured enough to be shared with the broader…
Quantum field theory reconciles quantum mechanics and special relativity, and plays a central role in many areas of physics. We develop a quantum algorithm to compute relativistic scattering probabilities in a massive quantum field theory…
Molecular science is governed by the dynamics of electrons, atomic nuclei, and their interaction with electromagnetic fields. A reliable physicochemical understanding of these processes is crucial for the design and synthesis of chemicals…
Quantum computers (QC) could harbor the potential to significantly advance materials simulations, particularly at the atomistic scale involving strongly correlated fermionic systems where an accurate description of quantum many-body effects…
The field of computational chemistry is increasingly leveraging machine learning (ML) potentials to predict molecular properties with high accuracy and efficiency, providing a viable alternative to traditional quantum mechanical (QM)…
We present a quantum-defect theory (QDT) for the $-1/r^4$ type of long-range potential, as a foundation for a systematic understanding of charge-neutral quantum systems such as ion-atom, ion-molecule, electron-atom, and positron-atom…
A reformulation of fermionic QFT in electromagnetic backgrounds is presented which uses methods analogous to those of conventional multiparticle quantum mechanics. Emphasis is placed on the (Schr\"odinger picture) states of the system,…
Understanding the properties of atomic nuclei and nuclear dynamics from QCD remains a major challenge. Complementary to first attempts along these lines based on lattice QCD, an effective field theory approach has been developed in the past…
Algebraic quantum field theory, or AQFT for short, is a rigorous analysis of the structure of relativistic quantum mechanics. It is formulated in terms of a net of operator algebras indexed by regions of a Lorentzian manifold. In several…
Classical molecular dynamics (MD) is a well established and powerful tool in various fields of science, e.g. chemistry, plasma physics, cluster physics and condensed matter physics. Objects of investigation are few-body systems and…
Quantum cluster approaches offer new perspectives to study the complexities of macroscopic correlated fermion systems. These approaches can be understood as generalized mean-field theories. Quantum cluster approaches are non-perturbative…
Topology enters in quantum field theory (qft) in multiple forms: one of the most important, in non-abelian gauge theories, being in the identification of the $\theta$ vacuum in QCD. A very relevant aspect of this connection is through the…
The ever-growing intersection of quantum electrodynamics (QED) and molecular processes has shown remarkable and unanticipated advancements in altering molecular properties and reactivity by exploiting light-matter couplings. In recent…
The quantum theory of fields is largely based on studying perturbations around non-interacting, or free, field theories, which correspond to a collection of quantum-mechanical harmonic oscillators. The quantum theory of an ordinary fluid is…
We propose a new non-perturbative method for studying UV complete unitary quantum field theories (QFTs) with a mass gap in general number of spacetime dimensions. The method relies on unitarity formulated as positive semi-definiteness of…
Mean-field treatment (MFT) is frequently applied to approximately predict the dynamics of quantum optics systems, to simplify the system Hamiltonian through neglecting certain modes that are driven strongly or couple weakly with other…