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Articles 1 - 30 of 78
Full-Text Articles in Quantum Physics
Machine Learning-Based Regression For Magnetic Field Prediction From Odmr Spectral Data, Jesse B. Hernandez
Machine Learning-Based Regression For Magnetic Field Prediction From Odmr Spectral Data, Jesse B. Hernandez
Electronic Theses, Projects, and Dissertations
Optically Detected Magnetic Resonance (ODMR) using nitrogen-vacancy (NV) centers in diamond enables sensitive, room-temperature magnetic field sensing, but real ODMR spectra are often noisy and difficult to analyze with traditional peak-fitting methods. This thesis investigates whether machine learning can reliably predict magnetic field strength directly from ODMR spectra, and compares four model families under a single regression task: a random forest, an artificial neural network (ANN), a one-dimensional convolutional neural network (1D-CNN), and a Transformer.
Training data were generated from an NV-ensemble simulation calibrated to real measurements provided by the Ulsan National Institute of Science and Technology (UNIST), spanning 0 …
Noise Characterization And Mitigation In Intermediate-Scale Quantum Systems, Muhammad Qasim Khan
Noise Characterization And Mitigation In Intermediate-Scale Quantum Systems, Muhammad Qasim Khan
Dartmouth College Ph.D Dissertations
Current quantum processors, at the intermediate scale of tens to hundreds of qubits, remain error-limited. This thesis studies two related sources of error. The first is environmental noise, which may have temporal and spatial correlations and nonclassical components. The second is state-preparation and measurement (SPAM) error, which arises in the operations used to characterize this noise, a prerequisite for boosting operational fidelities. Neither can be characterized alone. Noise spectroscopy techniques use imperfect preparation and readout, while SPAM characterization is affected by qubit decoherence. Our methods vary measurement depth, drive duration, or sequence repetition so each source changes the measured signal …
Potential Energy Landscape Formalism For Quantum Liquids, Yang Zhou
Potential Energy Landscape Formalism For Quantum Liquids, Yang Zhou
Dissertations, Theses, and Capstone Projects
Atomic delocalization due to nuclear quantum effects (NQE) remains poorly understood in low-temperature liquids near the glass state and during vitrification. Many liquids can be described accurately by treating their nuclei as classical particles, but this approximation fails for light elements such as He and H₂, small hydrogen-containing molecules such as water, and systems in which zero-point motion or isotope-substitution effects are important. Developing a general thermodynamic and statistical-mechanical description of such liquids has been challenging. This dissertation extends the potential energy landscape (PEL) formalism, originally developed for classical liquids and glasses, to liquids that obey quantum mechanics and exhibit …
A Variational Algorithm For Preparing Superoptimal Thermal States For Quantum Thermometric Measurement Adaptable To Nisq Hardware, Nicholas Donatelli
A Variational Algorithm For Preparing Superoptimal Thermal States For Quantum Thermometric Measurement Adaptable To Nisq Hardware, Nicholas Donatelli
Graduate Masters Theses
The conditional thermal state (CTS) is a probe-specific quantum thermal state that is known to outperform the Gibbs state in quantum thermometric measurements at sufficiently low temperatures. This thesis introduces a variational quantum algorithm designed to prepare the CTS on quantum computing hardware which optimizes the angular parameters of the quantum gates that comprise the ansatz circuit and, for the one-qubit case, minimizes relative infidelity of the output state with the known CTS. Using noiseless numerical simulations (SPSA with Qiskit), attempting to prepare the CTS yielded relative infidelities with the known CTS on the order of $10^{-5}$ for most parameter …
Symmetric Informationally Complete Positive Operator Valued Measures Minimize P-Norm Difference Between Quantum And Classical Probability Rules, Austin Monaghan
Symmetric Informationally Complete Positive Operator Valued Measures Minimize P-Norm Difference Between Quantum And Classical Probability Rules, Austin Monaghan
Graduate Masters Theses
Experimental violations of Bell's inequality demonstrate quantum theory's incompatibility with a local hidden-variable formulation. Simply put, either 1) measurements performed at one point in space may instantaneously influence far away systems ("spooky action at a distance") or 2) measurement outcomes are not the result of pre-existing properties. The act of measurement takes part in the very creation of the outcomes. If we reject condition 1 as a valid assumption, how can we interpret the significance of condition 2 i.e. no local parameters? In QBism, condition 2 arises from something deeper: that the Born rule expresses a nonclassical condition for connecting …
Informationally Complete Measurements In Quantum Theory: Implementation, Geometry, And Correlations, Sachin Gupta
Informationally Complete Measurements In Quantum Theory: Implementation, Geometry, And Correlations, Sachin Gupta
Graduate Doctoral Dissertations
Informationally complete measurements provide a bridge between the operational and geometric structure of quantum theory. They allow quantum states to be reconstructed from measurement probabilities. This thesis studies informationally complete measurements from two complementary perspectives: their physical implementation and their role in the probabilistic reconstruction of quantum theory.
The first part develops a symmetry-driven Naimark extension for rank-one Weyl- Heisenberg covariant Projective Operator-Valued Measures (POVMs) in arbitrary finite dimension. Since every element of such a POVM is generated from a single fiducial state by the Weyl-Heisenberg displacement operators, the full measurement inherits a strong covariance structure. We show that this …
The Grasshopper's Journey To The Bloch Sphere, David Llamas
The Grasshopper's Journey To The Bloch Sphere, David Llamas
Graduate Doctoral Dissertations
The Grasshopper Problem asks a simple geometric question. A grasshopper lands on a lawn of fixed area and jumps a fixed distance in a random direction. What shape of lawn maximizes the probability that the grasshopper remains on the lawn after jumping? The jump rule is rotationally symmetric, but the best lawns do not have to be. This dissertation studies how that symmetry breaking occurs, maps the continuum problem to a novel constrained spin system, and uses the spherical Grasshopper Problem to compare quantum singlet correlations with classical local models.
For planar lawns, boundary-integral and perturbative calculations explain why the …
Redesigning Quantum Theory, Matthew Weiss
Redesigning Quantum Theory, Matthew Weiss
Graduate Doctoral Dissertations
QBism understands quantum mechanics to be probability theory supplemented by additional nonclassical coherence conditions. In this dissertation, we develop these nonclassical coherence conditions from first principles, emphasizing the role of a well chosen reference measurement. After treating standard probability on subjective Bayesian lines, we demonstrate an equivalence between the QBist approach and the existing framework of generalized probabilistic theories. We show that the fundamental nonclassical coherence relation may almost always be taken to be a gentle modification of the law of total probability, and give a coherentist account of when an experimental scenario has a classical explanation. Finally, we show …
Toward A Post-Modern Daoist Pedagogy: Bridging Complexity And Dao Through Inner Cultivation And Autopoietic Currere, Jie Yu, Jingyu Liu
Toward A Post-Modern Daoist Pedagogy: Bridging Complexity And Dao Through Inner Cultivation And Autopoietic Currere, Jie Yu, Jingyu Liu
Journal of Contemplative and Holistic Education
This article first critically examines the call to reenchant the world as it resonates within a middle space between science and mysticism and then connects key ideas from complexity theory and systems thinking on complex adaptive systems with two seminal Daoist texts: the Neiye (《內業》, Inner Cultivation), a proto-Daoist chapter from the Guanzi anthology (4th–3rd century B.C.E.), and the Huangting Jing (《黃庭經》, Yellow Court Scripture), a later Daoist classic (3rd–4th century C.E.). Through this dialogue, the article advocates a post-modern Daoist pedagogy through inner cultivation and autopoietic currere—an autopoietic process wherein curriculum emerges organically through participatory dialogue …
Electronic Structure Discretization And Compression Using Diagonal Basis Sets, Casey Lee Dowdle
Electronic Structure Discretization And Compression Using Diagonal Basis Sets, Casey Lee Dowdle
Dartmouth College Ph.D Dissertations
Numerically solving the electronic structure problem is a fundamentally difficult problem due to the exponential growth in the dimension of the Hilbert space as the system size increases. In order to solve problems at a chemically relevant accuracy, both the choice of basis set and numerical method are important factors that are intrinsically connected.
In this thesis, we study the discretization and resulting compression of electronic Hamiltonians using diagonal basis sets. A diagonal basis set approximately diagonalizes the matrix and tensor representations of the one- and two-body potentials. This can reduce storage, simplify matrix-vector products, and lower the complexity of …
Scattering Phase Shift In Quantum Mechanics On Quantum Computers: Non-Hermitian Systems And Imaginary-Time Simulations, Peng Guo, Paul Levan, Frank Lee, Yong Zhao
Scattering Phase Shift In Quantum Mechanics On Quantum Computers: Non-Hermitian Systems And Imaginary-Time Simulations, Peng Guo, Paul Levan, Frank Lee, Yong Zhao
Research & Publications
To overcome the fast oscillatory behavior of correlation functions for extracting scattering phase shift in real-time quantum simulations encountered in the work of Guo et al. [Phys. Rev. D 113, 054512 (2026)], we propose and test two solutions in the present work. One is to simulate Hermitian systems in imaginary time, and the other is to simulate non-Hermitian systems in real time. We demonstrate that both approaches lead to the problem of nonunitary quantum evolution that can be solved by combining two quantum algorithms: block encoding and Hadamard test. The combined quantum algorithm does not require midcircuit …
Differentiating The Impossible: Feynman's Trick In Applications Of Modern Physics, Yaohua Zhao
Differentiating The Impossible: Feynman's Trick In Applications Of Modern Physics, Yaohua Zhao
Discovery Day - Daytona Beach
We discuss Feynman’s method of differentiating with respect to a parameter inside an integral and explore its significance on selective topics of modern physics. This powerful technique allows us to integrate functions that may seem impossible. Depending on the underlying parameters, the Feynman method becomes a unifying framework that connects mathematical concepts to many parameter-dependent equations in modern physics. In statistical mechanics, this appears directly in the partition function, where derivatives with respect to temperature-related parameters yield thermodynamic quantities such as internal energy and heat capacity; this demonstrates how parameter dependence gives rise to macroscopic behaviors observable at a larger …
Multiscale Network Modeling Of Native And Modified Photosynthetic Light-Harvesting Complexes, Zane E. Armijo
Multiscale Network Modeling Of Native And Modified Photosynthetic Light-Harvesting Complexes, Zane E. Armijo
Chemical and Biological Engineering ETDs
Photosynthetic light-harvesting complexes harvest solar energy and direct electronic excitations toward reaction centers with exceptional efficiency. This dissertation models the Fenna--Matthews--Olson complex of green sulfur bacteria, coupled to the PscA1 reaction center, as a chromophoric network. Forster resonance energy transfer theory, validated against numerically exact hierarchical equations of motion, was implemented in kinetic Monte Carlo simulations to resolve fine-grained excitation-transport pathways. The predicted charge-transfer efficiency of 77\% agrees with experiment, with the FMO2 monomer and its gateway pigment governing interfacial transfer. Systematic single, multi, and symmetry-preserving site removals, interpreted through Mobius inversion, identify critical pigments and show that cooperative effects …
Simulating Quantum Field Theories On Fault-Tolerant Quantum Computers, Mason L. Rhodes
Simulating Quantum Field Theories On Fault-Tolerant Quantum Computers, Mason L. Rhodes
Physics & Astronomy ETDs
Quantum field theories are an essential framework in modeling fundamental interactions in nature, yet reliable simulations consume large portions of the world's most powerful supercomputers. In this Dissertation, we explore an alternative simulation paradigm on fault-tolerant quantum hardware, discussing both algorithmic and model advancements. In the former, we construct state-of-the-art algorithmic subroutines that take advantage of useful properties of the Hamiltonian describing the theory to achieve an exponential improvement in resources over prior quantum algorithms. In the latter, we simplify the structure of the Hamiltonian, making it more amenable to quantum simulation. First, we present an improved regularization of the …
Strategies For Large Dynamic Range, Entanglement-Enhanced Quantum Metrology With Experimentally Demonstrated Resources, Tyler G. Thurtell
Strategies For Large Dynamic Range, Entanglement-Enhanced Quantum Metrology With Experimentally Demonstrated Resources, Tyler G. Thurtell
Physics & Astronomy ETDs
Quantum metrology studies the use of quantum mechanical systems as measurement devices or sensors. Surprisingly, preparing a sensor in an entangled state can enhance measurement precision. The simplest protocols for entanglement enhancement sense only small changes in a quantity. The range of values over which a measurement protocol works is called its dynamic range. For many types of sensors we require end-to-end protocols that describe how to use entanglement to achieve enhanced precision over a large dynamic range. In this dissertation, we describe two approaches to achieving entanglement-enhanced sensing over a large dynamic range. The first approach uses entangling resources …
Algorithmic Sculpting Of Complex Fused Silica Surfaces For Nondestructive, Mode-Matched Cavity Quantum Electrodynamics: Adaptive Co2 Milling And Simulation-Guided Ultrafast Inscription, From Fiber Fabry-Perot Cavities To Monolithic Architectures, Meagan E. Parker
Optical Science and Engineering ETDs
Quantum sensors achieve exceptional measurement sensitivity through coherent, well-isolated quantum systems, but practical deployment is hindered by destructive readouts that require repeated state preparation and create long system dead times. Optical cavities enable continuous, nondestructive measurements with minimal back-action, yet integrating high-finesse cavities into scalable quantum devices remains limited by existing fabrication methods. To overcome these constraints, an adaptive CO₂ laser-milling platform was developed. Guided by glass thermodynamics and melt dynamics, this closed-loop system uses in-situ phase-shifting interferometry to sculpt complex fused-silica surfaces with sub-nanometer root-mean-square roughness. The platform was validated by fabricating extended-length fiber Fabry–Pérot cavities and monolithic micro-cavity …
Glassy Magnetic Freezing Of Interacting Clusters In Materials Related To The Lk-99 Family, Serafim Teknowijoyo, Domenico Napoletani, Vahan Nikoghosyan, Armen Gulian
Glassy Magnetic Freezing Of Interacting Clusters In Materials Related To The Lk-99 Family, Serafim Teknowijoyo, Domenico Napoletani, Vahan Nikoghosyan, Armen Gulian
Mathematics, Physics, and Computer Science Faculty Articles and Research
We report reproducible magnetization anomalies appearing below room temperature in copper-doped apatite materials belonging to the LK-99 family synthesized via hydrothermal methods. These anomalies are observed consistently across samples prepared under comparable conditions. Although the extracted Mydosh parameter lies within the range often associated with vortex-glass behavior in superconductors, a detailed analysis of DC magnetization, AC susceptibility, field dependence, and magnetic memory effects demonstrates that the observed phenomena are not related to superconductivity. Instead, the data are consistent with glassy magnetic freezing of interacting clusters. Compositional and structural analysis identifies covellite (CuS), one of the constituent phases in these multiphase …
Capturing An Electron In The Virtual State, Alok Nath Singh, Bibek Bhandari, Rafael Sánchez, Andrew N. Jordan
Capturing An Electron In The Virtual State, Alok Nath Singh, Bibek Bhandari, Rafael Sánchez, Andrew N. Jordan
Mathematics, Physics, and Computer Science Faculty Articles and Research
We address a foundational question in quantum mechanics: can a particle be directly found in a classically-forbidden virtual state? We instantiate this conceptual question by investigating the traversal of electrons through a tunnel barrier, which we define in a triple quantum dot system where the occupation of the central dot is energetically avoided. The motivation behind this setup is to answer whether the central dot is occupied or not during a virtual transition when it is being explicitly monitored. We investigate this problem in two different limits of continuous measurements: the stochastic quantum diffusion and the quantum jump. We find …
Coherent Two-Photon Backscattering And Induced Angular Quantum Correlations In Multiple-Scattered Two-Photon States Of The Light, Nooshin M. Estakhri, Theodore B. Norris
Coherent Two-Photon Backscattering And Induced Angular Quantum Correlations In Multiple-Scattered Two-Photon States Of The Light, Nooshin M. Estakhri, Theodore B. Norris
Engineering Faculty Articles and Research
We present the emergence of coherent two-photon backscattering, a manifestation of weak localization, in multiple scattering of maximally entangled pure and fully mixed two-photon states and examine the effect of entanglement and classical correlations. Quantum correlations in backscattering are investigated for finite three-dimensional disordered structures in the weak localization regime, as well as systems of a small number of scatterers with specified spatial arrangements. No assumptions are made about the statistical behavior of the scattering matrix elements. Furthermore, we study the interplay between quantum correlations induced by multiple scattering and the correlations that may be present in the illumination fields, …
Classical-Correlation-Enhanced Weak-Value Amplification Resilient To Persistent Noises, Xu-Song Hong, Gong-Chu Li, Lei Chen, Si-Qi Zhang, Hua-Qin Xu, Yuancheng Liu, Shengshi Pang, Andrew N. Jordan, Geng Chen, Chuan-Feng Li, Guang-Can Guo
Classical-Correlation-Enhanced Weak-Value Amplification Resilient To Persistent Noises, Xu-Song Hong, Gong-Chu Li, Lei Chen, Si-Qi Zhang, Hua-Qin Xu, Yuancheng Liu, Shengshi Pang, Andrew N. Jordan, Geng Chen, Chuan-Feng Li, Guang-Can Guo
Mathematics, Physics, and Computer Science Faculty Articles and Research
Weak measurement (WM) offers the advantage of amplifying small signals at the cost of postselecting a small portion of the probes. This so-called weak-value amplification effect makes it compare favorably with conventional techniques (without postselection) to overcome various technical noises. However, certain types of technical noise, such as jitter and pixelation, present insurmountable limitations for both WM and conventional techniques. In this work, we propose an advanced variant of WM that incorporates time-momentum correlation (TMC) into biased weak measurement (BWM). By employing the Fisher information metric, we theoretically show that TMC-BWM can overcome jitter and pixelation, and meanwhile extract significantly …
A Quantum Phase Space Description Of Local Noise In Atomic Ensembles, Andrew Kolmer Forbes
A Quantum Phase Space Description Of Local Noise In Atomic Ensembles, Andrew Kolmer Forbes
Physics & Astronomy ETDs
Nonclassicality in quantum sensors can improve sensitivity, but often increases susceptibility to noise. Thus, modeling physically relevant noise sources and analyzing their effect on quantum metrology are both of importance to the field of quantum sensing. In this dissertation, I demonstrate that local noise sources, which are present in almost all many-spin systems, can be tractably modeled when assuming permutation symmetry of the noise, and we show that many common local noise sources can be mapped to a Fokker-Planck equation on quantum phase space. We apply this description of noise to study quantum sensing using noisy probe states and establish …
Optical Nuclear Spin Detection In Diamond And Varifocal Metasurface Optics, Maxwell D. Aiello
Optical Nuclear Spin Detection In Diamond And Varifocal Metasurface Optics, Maxwell D. Aiello
Physics & Astronomy ETDs
This dissertation presents two experimental investigations at the intersection of quantum sensing and precision optical instrumentation. The primary project demonstrates optically detected nuclear magnetic resonance (NMR) of 13C nuclear spins in diamond, using state-selective Landau-Zener transitions under microwave frequency sweeping to bidirectionally transfer spin polarization between nitrogen-vacancy (NV) electron spins and remote 13C nuclear spins. This enables optical polarization and readout of large ensembles of polarized nuclear spins at low magnetic fields and room temperature, with spin dephasing times limited by longitudinal relaxation of nearby NV electron spins. The secondary project reports the design, fabrication, and characterization of …
Quantum Control Protocols For Robust Quantum Computing, Leeseok Kim
Quantum Control Protocols For Robust Quantum Computing, Leeseok Kim
Electrical and Computer Engineering ETDs
The fundamental goal of quantum computing is to precisely control quantum systems to perform meaningful tasks, including implementing high-fidelity quantum gates for reliable quantum computation and accurately simulating complex quantum many- body dynamics. In this dissertation, we develop improved quantum control protocols for three distinct objectives, quantum error suppression, quantum optimal control, and analog quantum algorithms, achieving performance beyond standard approaches. First, we introduce new dynamical decoupling protocols, including both determin- istic and randomized constructions, that can substantially outperform conventional deterministic sequences. We then extend the randomized approach to dynamically corrected gates. Second, we propose a randomized quantum optimal control …
Momentum Space Algorithm For Electronic Structure Of Double-Incommensurate Trilayer Graphene, Kenneth Silver Beard
Momentum Space Algorithm For Electronic Structure Of Double-Incommensurate Trilayer Graphene, Kenneth Silver Beard
LSU Doctoral Dissertations
Numerical algorithms for computing the electronic structure of incommensurate 2D-materials using ab initio models are critical for predicting material properties and guiding experiments. For bilayers, momentum space and continuum models have been introduced to approximate observables of ab initio tight-binding models using a momentum description, despite the lack of periodicity in the tight-binding model required for Bloch theory. A similar structure has been introduced for double-incommensurate trilayers using a continuum model, where the three lattices are mutually incommensurate. However, this description leads to a four-dimensional lattice space, and numerical convergence of the density of states has been observed to be …
Characterizing Capacitance Of Josephson Junctions For Quantum Devices, Bradley Gordon Cole
Characterizing Capacitance Of Josephson Junctions For Quantum Devices, Bradley Gordon Cole
Dissertations - ALL
The field of quantum computing is growing at a rapid rate with the promise of dramatic improvements in the ability to solve critical computational problems. A leading approach for implementing fault-tolerant quantum computers is based on superconducting circuits containing Josephson junctions to form qubits. These qubits have many attractive qualities, but predicting the device performance requires detailed knowledge of the junction properties. Thus, precise characterization is crucial for realizing different qubit designs. The coherence of superconducting qubits is limited by several sources in the circuit en- vironment. Building a quantum computer requires effort to reduce gate errors caused by decoherence. …
The Trouble Of Energy: Theoretical Foundations Of Loop Quantum Gravity, Hallie Gift
The Trouble Of Energy: Theoretical Foundations Of Loop Quantum Gravity, Hallie Gift
Senior Honors Theses
While general relativity and quantum mechanics have proved to be successful theories with elegant explanations of special cases, an underlying theory is needed to harmonize their copious discrepancies. Popular theories to reconcile the two are broadly termed “quantum gravity,” which refers to theories that introduce a discretized component of gravity either by directly suggesting gravitational quanta or attempting to discretize spacetime geometry. Loop quantum gravity falls under the latter category; it respects the background independence intrinsic to general relativity while attempting to provide an explanation of underlying quantum behavior via Planck-scale-level geometrical discretization. This thesis aims to provide a primer …
What Do Black Holes Teach Us About Wigner’S Friend?, Emily Adlam
What Do Black Holes Teach Us About Wigner’S Friend?, Emily Adlam
Mathematics, Physics, and Computer Science Faculty Articles and Research
Recently, Hausmann and Renner have pointed out that several famous paradoxes relating to black holes have a similar character to various Extended Wigner’s Friend paradoxes. In this paper I consider what the connection between these things could teach us about the Wigner’s Friend scenarios. I argue that if we take the analogy between these cases seriously, the black hole paradoxes appear to favour a certain class of response to the Wigner’s Friend scenario - specifically, those which posit intrinsic relationality, rather than effective and emergent relationality, and also those which posit some kind of retrocausality.
Multiple-Valued Quantum Automata For Robotics, Yuchen Huang
Multiple-Valued Quantum Automata For Robotics, Yuchen Huang
Dissertations and Theses
This dissertation introduces a new type of quantum automata, their encoding and circuit realization. I concentrate on possible applications in robotics. Several methods and application of quantum automata and quantum circuit-based controllers for elementary robotic systems, with a focus on humanoid robot motion, emotion, and behavior generation are illustrated in detail. The research introduces several novel methodologies that bridge quantum computing principles with robotic control, aiming to overcome the limitations of classical deterministic and probabilistic approaches.
The dissertation first presents a quantum-circuit-based framework for generating non-repetitive and expressive (e)motions in a humanoid robot actor, using superposition and entanglement to produce …
Revisiting Quantum Foundations: Deriving The Klein-Gordon-Fock Equation Without Axiomatic Postulates*, Joshua Lohr, Vola Andrianarijaona, Anton A. Lipovka
Revisiting Quantum Foundations: Deriving The Klein-Gordon-Fock Equation Without Axiomatic Postulates*, Joshua Lohr, Vola Andrianarijaona, Anton A. Lipovka
Campus Research Month
This paper presents a derivation of the Klein-Gordon-Fock equation from first principles. The proposed method eliminates the need to axiomatically postulate wave functions or equation coefficients. Instead, the derivation is performed on an adiabatically variable manifold, locally described by the Friedman-Robertson-Walker metric, incorporating complete electrodynamics. In this framework, the transverse electromagnetic field quantizes due to adiabatic changes in the metric tensor, with Planck's constant serving as its adiabatic invariant. Consequently, wave functions naturally emerge as eigenfunctions of a Sturm-Liouville problem used to expand the electromagnetic field.
Calculating Potential Energy Curves Of Molecular Hydrogen And Its Ion Using Psi4 For Blinc Fusion Applications*, Angelina Castillo, Oscar Coral, Canaan Hercules, Blake Laing, Vola Andrianarijaona
Calculating Potential Energy Curves Of Molecular Hydrogen And Its Ion Using Psi4 For Blinc Fusion Applications*, Angelina Castillo, Oscar Coral, Canaan Hercules, Blake Laing, Vola Andrianarijaona
Campus Research Month
Southern Adventist University’s Beamline for Ionic and Neutral Collisions (BLINC) is investigating the interactions between hydrogen molecules and fusion particles. To perform in-house theoretical calculations, the BLINC Theory and Analysis Group is testing Psi4 as a viable computational method for BLINC fusion research. Successful calculations of the potential energy curves and dissociation energies of H2 and H2+ have been completed and compared to known values. Preliminary results align with known values, demonstrating Psi4’s potential for BLINC research. Future work will focus on the vibrational energies, wavefunctions, and transition probabilities of H2 and H2+.