Digital Commons Network^™

Quantum Indiscernibility And Perspectivalism, Emily Adlam

Mathematics, Physics, and Computer Science Faculty Articles and Research

It has often been suggested that similar quantum particles may be a counterexample to the principle of the Identity of Indiscernibles. In this article, I discuss the status of indiscernibility in a perspectival approach to quantum mechanics. I argue that adopting an internal physical perspective can have the effect of making entities discernible even if they are not discernible relative to external reference frames, and thus perspectivalism offers a new way to understand the physical meaning of weak discernibility. I discuss whether this approach is circular, and I consider whether the reference frames involved are physically meaningful. I conclude that …

Markov-Modulated Queueing Network For Mobile Traffic Aggregation With Threshold-Controlled Buffers, Anton A. Esin, Elmira Yu. Kalimulina

Mathematical Modelling and Numerical Simulation with Applications

We study the problem of data transmission from mobile platforms operating in high-speed transit between cellular base stations, under conditions of unstable and intermittent connectivity. Conventional queueing and connectivity models often fail to capture the combined effects of rapidly changing signal conditions, finite buffer capacity, and dynamic topology. We aim to develop a tractable yet expressive model that integrates stochastic link availability, queue dynamics, and buffer control. We propose a mathematical framework based on queues whose service intensities are modulated by a continuous-time Markov chain (CTMC) representing signal conditions along a high-speed trajectory. The core subsystem is a two-stage (aggregation …

A Study Of Transients From Ground-Based Surveys Reveals New Ultra-Compact Accreting White Dwarf Binaries, Jan Kára, Liliana E. Rivera Sandoval, Wendy Mendoza, Thomas J. Maccarone, Manuel Pichardo Marcano, Luis Salazar Manzano, Ryan J. Oelkers, Jan Van Roestel

Physics & Astronomy Faculty Publications

AM CVn stars are ultra-compact semi-detached binaries consisting of a white dwarf primary and a hydrogen-depleted secondary. In this paper, we present spectroscopic and photometric results of 15 transient sources pre-classified as AM CVn candidates. Our analysis confirms 9 systems of the type AM CVn, 3 hydrogen-rich cataclysmic variables (accreting white dwarfs with near-main-sequence stars for donors), and 3 systems that could be evolved cataclysmic variables. Eight of the AM CVn stars are analysed spectroscopically for the first time, which increases the number of spectroscopically confirmed AM CVns by about 10%. TESS data revealed the orbital period of the AM …

Precision Spectroscopy Of 2s-Ns Transitions In Atomic Hydrogen: A Determination Of The Proton Charge Radius, R. G. Bullis, W. L. Tavis, M. R. Weiss, Orellana O. Cisneros, A. J. Cheeseman, Ulrich D. Jentschura, D. C. Yost

Physics Faculty Research & Creative Works

We present absolute frequency measurements of 2S_1/2-nS_1/2 two-photon transitions with n=8, 9, and 10 in a cryogenic beam of atomic hydrogen. Each transition has been measured with a fractional uncertainty of ≈2.6x10^-12. Combining the results from this Letter and the 1S_1/2-2S_1/2 transition frequency, we extract a root-mean-square proton radius of rp=0.8433(31) fm and a Rydberg frequency of cR_∞=3 289 841 960 252.9(9.7) kHz. These are in good agreement with the CODATA 2022 recommended values.

First-Order Axial Perturbation Of The Reissner–Nordström Metric Against A Possible Parity-Violating Gravity Background, Abhishek Rout, Brett David Altschul

Faculty Publications

We study axial perturbations of Reissner–Nordström black holes within the general frame-work of parity-violating modified gravity theories. We derive the governing equations for a class of frame-dragging perturbations, focusing on the symmetry structure and radial dependence of the perturbed metric component, describing its behavior across three distinct regions: near the singularity (r → 0), between the inner and outer Reissner–Nordström horizons (r− < r < r+), and in the asymptotic exterior regime (r → ∞). Using a combination of analytical and numerical methods, we analyze the solutions for varying black hole charge-to-mass ratios (Q/M) and angular momentum parameters (l). Key findings include the suppression of perturbations by the electromagnetic field for higher Q/M; the emergence of radial resonance-like behavior for specific l values; and a high degree of symmetry for solutions in the extremal limit (Q/M ∼ 1), attributed to the AdS2 × S 2 near-horizon geometry. The WKB approximation is employed to study the high-l regime, revealing quantized radial resonance modes and singular behavior in the extremal limit. Additionally, we explore the role of boundary conditions and the possibility of a Chern–Simons field Θ as the source of the parity violation, showing that consistency and the behavior of the perturbations under time reversal demand a constant field (and thus no actually observable Chern–Simons effects) at leading order. These results provide a basis for further analysis of the stability and dynamical properties of charged black holes in parity-violating theories, with potential experimental signatures in gravitational wave observations.

Investigation Of Molecular Footprints In Ultra-High Diluted Homoeopathic Solutions Of Arnica Montana And Rhus Toxicodendron Through Combined Infrared And Impedance Spectroscopy, Sharbadeb Kundu, Usha Rani Dash, Chirasree Roychaudhuri, Aindrila Roy, Sanatan Chattopadhyay, Rathin Chakravarty, Debadatta Nayak, Subhash Kaushik, Amit Roy Chowdhury, Ananya Barui, Subhadip Chakraborty

Indian Journal of Research in Homoeopathy

Background: The study of ultra-high diluted (UHD) solutions is a compelling and controversial domain in modern science. Despite numerous investigations and hypotheses, there is a lack of rigorous, reproducible empirical evidence supporting the existence of molecular footprints beyond the Avogadro's limit. Objective: This study conducted a detailed investigation of the molecular and electrical properties, focusing on hydrogen bonding and impedance to understand the fundamental nature of UHD solutions. Materials and methods: Combined impedance and infrared spectroscopic investigations were performed to probe the structural behaviour of relevant water networks at the molecular level of UHD alcoholic extract of Arnica montana (AM) …

Cdj-Pontryagin Optimal Control For General Continuously Monitored Quantum Systems, Tathagata Karmakar, Andrew N. Jordan

Mathematics, Physics, and Computer Science Faculty Articles and Research

The Chantasri-Dressel-Jordan (CDJ) stochastic path integral formalism (Chantasri et al. 2013 and 2015) characterizes the statistics of the readouts and the most likely conditional evolution of continuously monitored quantum systems involving a few qubits or quantum harmonic oscillators in Gaussian states. In our work, we generalize the CDJ formalism to arbitrary continuously monitored systems by introducing a costate operator. We then prescribe a generalized Pontryagin's maximum principle for quantum systems undergoing arbitrary evolution and find conditions on optimal control protocols. We show that the CDJ formalism's most likely path can be cast as a quantum Pontryagin's maximum principle, where the …

Empirical Validation Of Einstein’S Coefficient For The Deflection Of Light Due To Gravitational Forces, Alexandra R. Mcdowell

Honors College Theses

Einstein’s formula to calculate the deflection angle of light through space as it interacts with gravity was introduced in his 1916 publication on general relativity. This was not a new idea, but his equation was, and it was correct. Just 3 years after this publication, it was empirically validated by Sir Arthur Eddington and Sir Frank Dyson. Since that experiment in 1919, at least seven others have been performed that also gave definitive answers in support of Einstein’s deflection constant of 1.751 arcseconds. The two most recent ones made groundbreaking contributions to this effort. The 2017 eclipse showed reproducible results …

Spin Pumping And Interfacial Anisotropy In Ultrathin Cobalt Heterostructures, Ibrahim Almuhanna

USF Tampa Graduate Theses and Dissertations

Interfaces dominate the behavior of ultrathin ferromagnets, where interfacial spin-orbit coupling(SOC) can strongly influence both magnetic anisotropy and magnetization dynamics. This thesis compares how a heavy-metal interface (Pt) and a semiconducting two-dimensional transition-metal dichalcogenide (TMD) interface (MoSe2) modify the static and dynamic magnetic properties of ultrathin Co. To isolate interface-driven effects, the heterostructure architecture is kept fixed (sapphire substrate and Si3N4 cap) while only the seeding/interface layer beneath Co is varied. MoSe2 is studied in two thickness conditions (monolayer and bilayer) to test layer-dependent trends.

Layer thicknesses are determined by X-ray reflectivity. Static magnetic properties are measured by in-plane vibrating …

Taylor Dispersion In Variable-Density, Variable-Viscosity Pulsatile Flows, Prabakaran Rajamanickam, Adam D. Weiss

Progress in Scale Modeling, an International Journal

The phenomenon of Taylor or shear-induced dispersion of a non-passive scalar field in a pulsatile pipe flow is investigated, accounting for the scalar field's influence on fluid density and transport coefficients. By employing multiple scale analysis, an effective one-dimensional, unsteady mixing problem for the scalar field is obtained, which includes the diffusion coefficient for shear-induced dispersion. The resulting governing equations are applicable to a range of scalar transport problems in pulsatile pipe flows.

New Avenues For |Δb=2| Processes Beyond Neutron-Antineutron Oscillations, Arnau Basi Beneito, Svjetlana Fajfer, Alexey A. Petrov

Faculty Publications

We explore baryon-number-violating (|∆B| = 2) processes beyond the well-known neutron-antineutron (n-n̄) oscillations, focusing on the Λ-Λ̄ system. The presence of a strange quark in the Λ baryon introduces a new set of six-quark operators roughly of the form (uds)², which are different from the (udd)² operators responsible for n-n̄ oscillations. Using the Standard Model Effective Field Theory (SMEFT), we classify all dimension-9 operators that cause |∆B| = 2  transitions and study their UV completions mediated by exotic scalar fields with trilinear interactions. We demonstrate that …

Combined Dark Matter Search Towards Dwarf Spheroidal Galaxies With Fermi-Lat, Hawc, H.E.S.S., Magic, And Veritas, S. Abdollahi, L. Baldini, R. Bellazzini, B. Berenji, E. Bissaldi, R. Bonino, X. Wang, R. Turner, P. Hüntemeyer, Et Al.

Michigan Tech Publications

Dwarf spheroidal galaxies (dSphs) are excellent targets for indirect dark matter (DM) searches using gamma-ray telescopes because they are thought to have high DM content and a low astrophysical background. The sensitivity of these searches is improved by combining the observations of dSphs made by different gamma-ray telescopes. We present the results of a combined search by the most sensitive currently operating gamma-ray telescopes, namely: the satellite-borne Fermi-LAT telescope; the ground-based imaging atmospheric Cherenkov telescope arrays H.E.S.S., MAGIC, and VERITAS; and the HAWC water Cherenkov detector. Individual datasets were analyzed using a common statistical approach. Results were subsequently combined via …

Sensing Negative-Cone Rotational Diffusion Of Dipole-Like Emitters, Yuanxin Qiu, Kaizhi A. Nie, Matthew D. Lew

Electrical & Systems Engineering Publications and Presentations

Fluorescence anisotropy and single-molecule orientation-localization microscopy (SMOLM) are powerful techniques that quantify the rotational diffusion of dipole-like emitters, which is important for sensing molecular interactions and chemical environments at the nanoscale. Numerous theoretical and experimental studies have thoroughly characterized single-molecule rotations even when those rotations are much faster than the detector integration time. Here, we extend the theory of measuring rotational diffusion to situations where a single dipole rotates uniformly everywhere outside of an isotropic cone of a certain size, termed a negative cone. This scenario corresponds to negative fluorescence anisotropy 𝑟 and has been observed in emitters exhibiting strong …

Clinical Validation Of Perfusion Imaging With Pulmonary Function Test Data Using Voronoi-Based Discretization, Jorge Cisneros, Caleb J. Herrera, Yi-Kuan Liu, Lisa V. Du, Yevgeniy Vinogradskiy, Richard Castillo, Girish Nair, Edward Castillo

Department of Medicine Faculty Papers

Objective.Accurate lung function assessment is essential for diagnosing and managing diseases like chronic obstructive pulmonary disorder, pulmonary emboli, and lung cancer. Single-photon emission computed tomography (SPECT) provides valuable 3D functional imaging of ventilation and perfusion, but is limited by low spatial resolution, availability, additional radiation, and cost. Alternative methods, including CT-based perfusion (CT-P) and deep learning models, require large datasets to validate results that are often scarce. Pulmonary function tests (PFTs) offer rapid and noninvasive global lung function measures and are clinically widely used. While ventilation correlates well with PFTs, perfusion imaging presents challenges due to complex blood flow and …

Transfer Learning Neural Networks For Nuclear Forensic Image Morphology Using Image Splitting Techniques, Niko A. Petrocelli, Lee C. Lambert, Brett J. Borghetti, Abigail A. Bickley

Faculty Publications

Manual morphological analysis of actinide particles from scanning electron microscope (SEM) imagery is a critical component of nuclear forensics but is prone to significant inter-analyst variability. To address this challenge, this work develops and evaluates an automated classification method using deep learning. We introduce a methodology based on partitioning 1906 SEM images, representing 13 classes of uranium compounds, into smaller patches for analysis. Three convolutional neural network (CNN) architectures of increasing complexity were compared: a custom baseline CNN, a simple transfer learning model using ResNet50v1, and a complex model featuring hierarchical feature extraction and a spatial attention mechanism built upon …

Non-Stokes Deposition Velocities Observed Under Rayleigh–Bénard Turbulence, Kristin Swartz-Schult, Andrew Grace, Andrew Bragg, Jesse C. Anderson, Will Cantrell, Robert Grosz, Hamed F. Sadi, Raymond Shaw, Swafuva Varappillikudy Sulaiman, Et Al.

Michigan Tech Publications

The settling and deposition behavior of small particles significantly impacts many environmental and industrial processes. Although particle settling dynamics within turbulent environments have been extensively studied through theory and simulation, more experimental investigation is needed to test the idealized results against real-world turbulent flows. In this work, we infer the settling velocity of particles in Rayleigh–Bénard (RB) turbulence through the measurement of declines in particle concentration due to deposition within a (Formula presented.) convection chamber. Oil droplets from (Formula presented.) to (Formula presented.) and glass beads from (Formula presented.) to (Formula presented.) were used as the particle material, yielding Kolmogorov-based …

New Measurement And Analysis For The 15N + 11B Elastic Scattering System, Nurlan Amangeldi, İsmai̇l Boztosun, Dauren Soldatkhan, Bakytbek Mauyey, Kanat Makhanov, Raimbek Akhat, Aida Anuar, Gani Yergaliuly

Turkish Journal of Physics

New experimental data on the elastic scattering of the nuclear process 15N+11B at an energy of Elab=26.25 MeV were obtained on the DC-60 cyclotron of the INP RK. Based on a semi-microscopic analysis of the interaction of an accelerated 15N ion with 1p-shell nuclei 11B the effectiveness of the new B3Y-Fetal potential was studied. . The difference between the B3Y-Fetal potential and the traditional Yukawa potentials (M3Y-Reid and M3Y-Paris) is that its density-dependent parameters are determined from the saturation condition of nuclear matter at low energy. Analysis was performed on double folding optical model (DFOM) and so no for other …

Symmetric Orthogonalization And Probabilistic Weights In Resource Quantification, Gökhan Torun

Turkish Journal of Physics

Transforming nonorthogonal bases into orthogonal ones often compromises essential properties or physical meaning in quantum systems. Here, we demonstrate that Löwdin symmetric orthogonalization (LSO) outperforms the widely used Gram–Schmidt orthogonalization (GSO) in characterizing and quantifying quantum resources, with particular emphasis on coherence and superposition. We employ LSO both to construct an orthogonal basis from a nonorthogonal one and to obtain a nonorthogonal basis from an orthogonal set, thereby mitigating ambiguity related to the basis choice in defining quantum coherence. Unlike GSO, which depends on the ordering of input states, LSO applies a symmetric transformation that treats all vectors equally and …

Paschen Curves Of Glow Discharges In Different Gas Compositions, Seth Gerow

Student Research Symposium (SRS)

Our work focuses on low current, low temperature plasma discharges: glow and corona. Townsend theory predicts that the critical voltage to initiate a gas breakdown (i.e., a "spark") between two parallel plate electrodes is dependent on the product of the pressure and distance; consequently, variations in either parameter which results in the same product, pd, do not affect the breakdown voltage. In this work, we present Paschen curves of narrow-to-wide electrode glow discharges in two gas mediums, argon and air. These curves show a deviation from theoretical predictions, such that changes in electrode configuration create a uniform shift of the …

Kinematic Anisotropies In Pta Observations: Analytical Toolkit, Maximilian Blümke, Kai Schmitz, Tobias Schröder, Deepali Agarwal, Joseph D. Romano

Physics & Astronomy Faculty Publications

The reported evidence for an isotropic gravitational-wave background (GWB) from pulsar timing array (PTA) collaborations has motivated searches for extrinsic and intrinsic anisotropies. Kinematic anisotropies may arise as a consequence of a boosted observer moving with respect to the frame in which the GWB appears isotropic. In this work, we present an analytical toolbox to describe the effects of kinematic anisotropies on the overlap reduction function. Our analytical results differ from previous findings at the quadrupole order and are detailed in three appendices. For the first time, we also derive the corresponding auto-correlation using two approaches, taking the pulsar distances …

Long-Range Fit: A Software Package For The Representation And Study Of Long-Range Molecular Interactions, Adrian L. Batista-Planas, Ernesto Quintas-Sánchez, Richard Dawes

Chemistry Faculty Research & Creative Works

Describing intermolecular forces is fundamental to modeling and predicting the behavior of molecular systems. In particular, long-range molecular interactions with electrostatic, induction, and dispersion as the main components play a critical role, especially for low-temperature and low-density regimes. Long-range interactions are often described through perturbation theory, representing the electronic charge distribution via a multipolar series of the moments and polarizability tensors corresponding to each molecule. However, while the theory is well established, obtaining the resulting analytical expressions (and their practical implementation) constitutes a highly complex and system-dependent task. To address this challenge, we developed long-range-fit (LRF), an interactive and user-friendly …

Discovery Of Horsfieldia Macrothyrsa Bioactives With Cytotoxic Effects On Breast Cancer Cells Through In Vitro And Docking Analyses, Megawati Megawati, Akhmad Darmawan, Agus Budiawan Naro Putra, Kartika Dyah Palupi, Marissa Angelina, Ahmad Randy, Siska Andrina Kusumastuti, Faris Hermawan, Sumi Hudiyono

Karbala International Journal of Modern Science

This study investigated the phytochemical constituents and biological activities of Horsfieldia macrothyrsa leaves to identify their bioactive compounds. Methanol extracts were fractionated using n-hexane and ethyl acetate, followed by silica gel column chromatography with a stepwise polarity gradient. From 100 g of powdered leaves, three major    compounds were successfully isolated from the ethyl acetate fraction: 1-(2,4,6-trihydroxyphenyl)dodecan-1-one (1), sesamin (2), and β-sitosterol (3). Their chemical structures were confirmed using UV, IR, LC–MS/MS, and NMR  spectroscopy. Biological activities of the fractions and isolates were evaluated through DPPH antioxidant assays, α-glucosidase inhibition for antidiabetic activity, MTT …

A Theoretical Investigation Of The Linear And Nonlinear Optical Responses Of Scandium- And Yttrium-Doped (Sub-Nm) Ag And Au Clusters, Munish Sharma, Mukesh Jakhar, Ravindra Pandey, Shashi P. Karna

Michigan Tech Publications

We investigate the linear and nonlinear optical properties of (sub-nm) Ag6 and Au6 clusters doped with Sc and Y using time-dependent density functional theory. Both parent clusters have D3h ground-state geometries but exhibit noticeably different electronic structures; scalar-relativistic corrections in Au6 induce significant s-d hybridization, resulting in larger HOMO-LUMO gaps and reduced one-photon absorption (OPA) cross-sections compared to Ag6. Two-photon absorption (TPA) peaks in the UV region show resonance enhancement via coupling with OPA-active states, with Ag6 having larger cross-sections than Au6. Doping with Sc and Y modifies the optical responses by breaking configurational symmetry and lifting HOMO degeneracies. ScAg5 …

Electronic Transport In Twisted Bilayer Tungsten Diselenides, Walid Zaher

Theses and Dissertations

This thesis investigates density waves (DWs) in twisted bilayer tungsten diselenide (tWSe₂) using a mean field approximation, with a focus on electron-electron interactions, and the system’s free energy at zero temperature. For the mean field approximation, the study initially employed same-spin nesting vectors, which were found insufficient to induce DWs formation. In contrast, when opposite-spin nesting vectors were used, DWs emerged, indicating that these vectors can support DWs formation. The plots were produced under perfect nesting conditions, where van Hove singularities (VHS) occur. At zero temperature, perfect nesting provides a complete picture of the upper limit of DWs formation, as …

Quantum Benchmarking Of High-Fidelity Noise-Biased Operations On A Detuned Kerr-Cat Qubit, Bingcheng Qing, Ahmed Hajr, Ke Wang, Gerwin Koolstra, Long B. Nguyen, Jordan Hines, Irwin Huang, Bibek Bhandari, Larry Chen, Ziqi Kang, Christian Jünger, Noah Goss, Nikitha Jain, Hyunseong Kim, Kan-Heng Lee, Akel Hashim, Nicholas E. Frattini, Zahra Pedramrazi, Justin Dressel, Andrew N. Jordan, David I. Santiago, Irfan Siddiqi

Mathematics, Physics, and Computer Science Faculty Articles and Research

Ubiquitous noise sources in quantum systems remain a key obstacle to building quantum computers, necessitating the use of quantum error correction codes. Recently, error-correcting codes tailored for noise-biased systems have been shown to offer high fault-tolerance thresholds and reduced hardware overhead, positioning noisebiased qubits as promising candidates for building universal quantum computers. However, quantum operations on these platforms remain challenging, and their noise structures have not yet been rigorously benchmarked to the same extent as those of conventional quantum hardware. In this work, we develop a comprehensive quantum control toolbox for a scalable noise-biased qubit, detuned Kerr-cat qubit, including initialization, …

Black Hole Spectroscopy And Tests Of General Relativity With Gw250114, The Ligo Scientific Collaboration, The Virgo Collaboration, The Kagra Collaboration

Department of Physics and Astronomy Faculty Scholarship and Creative Works

The binary black hole signal GW250114, the loudest gravitational wave detected to date, offers a unique opportunity to test Einstein’s general relativity (GR) in the high-velocity, strong-gravity regime and probe whether the remnant conforms to the Kerr metric. Upon perturbation, black holes emit a spectrum of damped sinusoids with specific, complex frequencies. Our analysis of the postmerger signal shows that at least two quasinormal modes are required to explain the data, with the most damped remaining statistically significant for about one cycle. We probe the remnant’s Kerr nature by constraining the spectroscopic pattern of the dominant quadrupolar (ℓ =𝑚 =2) …

Black Hole Spectroscopy And Tests Of General Relativity With Gw250114, A. G. Abac, I. Abouelfettouh, Teviet Creighton, Mario C. Diaz, Raul Alberto Espinosa Perez, J. Lawrence, Francisco Llamas Villarreal, Soma Mukherjee, Volker Quetschke, Miriam Ramos Arevalo, Wenhui Wang

Physics & Astronomy Faculty Publications

The binary black hole signal GW250114, the loudest gravitational wave detected to date, offers a unique opportunity to test Einstein’s general relativity (GR) in the high-velocity, strong-gravity regime and probe whether the remnant conforms to the Kerr metric. Upon perturbation, black holes emit a spectrum of damped sinusoids with specific, complex frequencies. Our analysis of the postmerger signal shows that at least two quasinormal modes are required to explain the data, with the most damped remaining statistically significant for about one cycle. We probe the remnant’s Kerr nature by constraining the spectroscopic pattern of the dominant quadrupolar (ℓ =𝑚 =2) …

Ultrafast Terahertz Spectroscopy And The Suppression Of Superconductivity In Strained Iron Selenide Below 1 Kelvin, Tracy Glen Hastings

ETDs from 2020-2029

We report on terahertz time-domain spectroscopy measurements of iron selenide thin films of various thicknesses grown on a magnesium oxide substrate, focusing on the frequency-dependent complex conductivity in the range of 0.25 - 7 THz. By an- alyzing films with and without an approximately 100 nm thick Se capping layer, we examined the role of oxidation in the suppression of superconductivity. X-ray photo- electron spectroscopy data confirmed that oxidation was effectively mitigated, yet the films exhibited insulating behavior down to 200 mK, a temperature range that has not been extensively studied in this system. Our results indicate that the suppression …

Revealing The Fuel Of A Quantum Continuous Measurement-Based Refrigerator, Cyril Elouard, Sreenath K. Manikandan, Andrew N. Jordan, Géraldine Haack

Mathematics, Physics, and Computer Science Faculty Articles and Research

While quantum measurements have been shown to constitute a resource for operating quantum thermal machines, the nature of the energy exchanges involved in the interaction between system and measuring apparatus is still under debate. In this work, we show that a microscopic model of the apparatus is necessary to unambiguously determine whether quantum measurements provide energy in the form of heat or work. We illustrate this result by considering a measurement-based refrigerator, made of a double quantum dot embedded in a two-terminal device, with the charge of one of the dots being continuously monitored. Tuning the parameters of the measurement …

A Transferable Force Field For Simulating Adsorption In Metal–Organic Frameworks With Open Metal Sites Based On The 12–6–4 Lennard-Jones Potential, Meng Du, Alan Rodriguez, Matthew Z. Lin, Haoyuan Chen

Physics & Astronomy Faculty Publications

Metal–organic frameworks (MOFs) that contain coordinatively unsaturated open metal sites (OMSs) provide strong host–guest interactions, making them promising sorbents for low-concentration gas adsorption applications such as direct air capture and atmospheric water harvesting. However, accurately modeling host–guest interactions involving OMSs remains challenging for classical force fields (FFs) based on the 12–6 Lennard–Jones (LJ) potential, as the polarization effect of the guest molecule induced by the positively charged OMS is not considered. Here, we introduce an FF based on the 12–6–4 LJ potential, which incorporates charge–induced dipole interactions and is parametrized against a diverse set of host–guest potential energy surfaces (PESs) …