Physical Sciences and Mathematics Commons^™

Discovery Of A New Cataclysmic Variable, Galex J211240.9–422959, Via The Exoasteroids Citizen Science Project, Mei Lin, Aaron Meisner, Siyi Xu, Arttu Sainio, Liliana E. Rivera Sandoval, Paula Szkody, Christopher Tanner, Laura K. Rogers, Sarah Casewell, Austin Humphreys

Physics & Astronomy Faculty Publications

We report the discovery and spectroscopic classification of a new cataclysmic variable (CV), GALEX J211240.9–422959 (Gaia DR3 source ID 6580244356829724928). This object was initially identified as a source exhibiting strong mid-infrared variability in Wide-field Infrared Survey Explorer (WISE) time-series data by a volunteer participating in the Exoasteroids citizen science project. Prompted by this strong variability at 3–5 μm, we obtained a follow-up optical spectrum using the Gemini Multi-Object Spectrograph at the Gemini South Observatory. The resulting spectrum displays a blue continuum dominated by strong, broad emission lines of the hydrogen Balmer series and neutral helium, spectral signatures characteristic of …

Antimicrobial Performance Of Amorphous Vs. Crystalline La1-Xsrxcoo3 Perovskites, S. M. Au Shohag, Fahmida Akhter, Ahmed Touhami, Swati Mohan, Md. Wasikur Rahman, Mohammed Jasim Uddin

Physics & Astronomy Faculty Publications

Perovskite materials, with their unique crystal structure and chemical properties, are emerging as promising antimicrobial agents for potential biomedical applications. In this research, different weight percentages of Sr2 + doped amorphous and crystalline Lanthanum Cobaltite (La1-xSrxCoO3 defined as LSCO) (x = 0, 0.025, 0.05, 0.1, and 0.15) perovskite was synthesized by using a simple combination of sol-gel and molten-salt processes and characterized by X-ray diffraction (XRD), and scanning electron microscopy (SEM) ensures the uniform morphology of the materials. During antimicrobial study using the Kirby Bauer method, amorphous LSCO showed much better activity than crystalline LSCO against Escherichia coli, Vibrio …

A Search For Magnetically Active Binary Counterparts To Chandra X-Ray Sources In 47 Tucanae With Hst Imaging, Haldan N. Cohn, Phyllis M. Lugger, Craig O. Heinke, Maureen Van Den Berg, Liliana Rivera Sandoval, Jay Anderson

Physics & Astronomy Faculty Publications

Using Hubble Space Telescope (HST) imaging, we searched for candidate magnetically active binary (AB) counterparts to low-luminosity Chandra X-ray sources in the globular cluster 47 Tucanae (NGC 104). We consider the catalog of 300 Chandra sources within the half-light radius of 47 Tuc compiled by C. O. Heinke et al. (2005). The 10-band HST imaging used to identify these sources spans the range from 275–658 nm. We generated a cross-matched catalog of objects detected by photometric reductions. We used this catalog to search for counterparts within Chandra source error circles using color–magnitude diagrams and a color–color plot. We …

Non-Hermitian Sl (3, C) Three-Mode Couplers, B. M. Rodríguez-Lara, Hamed Ghaemi-Dizicheh, Shahram Dehdashti, Andreas Hanke, Ahmed Touhami, J. Nötzel

Physics & Astronomy Faculty Publications

Photonic systems with exceptional points, where eigenvalues and corresponding eigenstates coalesce, have attracted interest due to their topological features and enhanced sensitivity to external perturbations. Non-Hermitian mode-coupling matrices provide a tractable analytic framework to model gain, loss, and chirality across optical, electronic, and mechanical platforms without the complexity of full open-system dynamics. Exceptional points define their spectral topology, and enable applications in mode control, amplification, and sensing. Yet N -mode couplers, the minimal setting for N th-order exceptional points, are often studied in specific designs that overlook their algebraic structure. We introduce a general sl(N , C) framework for arbitrary …

Patterns Of Multimorbidity Among Low-Income Adults Who Smoke With Implications For Tailored Interventions: A Cluster Analysis Using A Mixture Of Bernoulli Model, Monique T. Cano, Michael R. Lindstrom, Oscar F. Rojas Perez, Ricardo F. Muñoz

School of Mathematical & Statistical Sciences Faculty Publications

Introduction: Smoking cigarettes remains a leading modifiable risk factor for preventable health conditions. In the United States, the health burden of smoking disproportionately impacts low-income individuals. Multimorbidity is common in this group, complicating treatment and worsening outcomes. Identifying multimorbidity clusters can support targeted, individualized interventions. This study aimed to identify multimorbidity clusters among individuals who smoke and experience economic hardship and provide clinical recommendations to enhance health outcomes.

Method: Individuals who smoke and experience economic hardship (N = 60) were recruited from the San Francisco Health Network (SFHN) and were assessed for physical and mental conditions. Cluster analysis was …

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 …

What Does Next-Generation Mass Spectrometry Offer For Proteomics? A Comprehensive Platform Comparison, Filipa Blasco Tavares Pereira Lopes, Daniela Schlatzer, Tara Sudhadevi, Anantha Harijith, Marzieh Ayati, Mehmet Koyutürk, Mark R. Chance

Computer Science Faculty Publications

Next-generation mass spectrometry platforms (Orbitrap Astral, timsTOF Ultra) are reshaping proteomics by enhancing analytical depth and sensitivity. We compared these platforms against Orbitrap Exploris 480 using neonatal mouse lung tissues from a bronchopulmonary dysplasia model (n = 12), employing four acquisition strategies: Exploris 480 DDA/DIA, Astral HR-DIA, and timsTOF Ultra DIA-PASEF. All platforms identified ∼4000 proteins in common, with 98% proteome coverage of data-dependent acquisition (DDA) identifications using data-independent (DIA) methods and 92% concordance between next-generation systems. Orbitrap Astral and timsTOF Ultra quantified >225,000 peptides and 13,000 proteins, representing ∼800% and ∼300% greater depth than Exploris 480 DDA, respectively. …

Bacillus Subtilis Parb C-Terminal Lysine Residues Are Essential For Dimerization And In Vivo Function, Indicating Their Roles In Dna Sliding, Aleksey Aleshintsev, Lindsey E. Way, Ngoc Khanh Lai, Bianca Guerra, Paloma Dorantes, Lois Akosua Serwaa, Sealtiel Anulao, Miranda Molina, Xindan Wang, Hyeongjun Kim

Physics & Astronomy Faculty Publications

The broadly conserved ParB protein performs crucial functions in bacterial chromosome segregation and replication regulation. The cellular function of ParB requires it to dimerize, recognize parS DNA sequences, clamp on DNA, then slide to adjacent sequences through nonspecific DNA binding. How ParB coordinates nonspecific DNA binding and sliding remains elusive. Here, we combine multiple in vitro biophysical and computational tools and in vivo approaches to address this question. We found that five conserved lysine residues in the C-terminal domain (CTD) of ParB play distinct roles. While the two central rigid lysine residues provide the structural platform for the CTD, the …

Survival Politics On A Working Waterfront: Rules Change Faster Than Prices In The South Texas Shrimp Fishery, Owen Temby, Anthony R. Lima

School of Earth, Environmental, & Marine Sciences Faculty Publications

In 2024–2025, the U.S. and Texas governments raced to save Gulf shrimp. Texas passed a truth-in labeling law for food service in restaurants. Federal agencies added antidumping and countervailing duty orders and new tariffs. This case follows Brownsville and Port Isabel, where dock prices slid while boats and crews aged. We frame the response as survival politics: urgent and improvised moves to keep a livelihood going even when imports set the price. Using legislative hearings, agency notices, local reporting, and port records, we show that rules reset faster than prices. Inventories, contracts, and supplier substitution delay any lift at the …

Institutional And Ideational Features Of Canadian-Us Fishery Management Networks: Connectivity, Coherence, And Collaboration, Owen Temby, Evelyn Roozee, Dongkyu Kim, Jasper R. De Vries, Derek A. Katznelson, Antonia Sohns, Gordon M. Hickey

School of Earth, Environmental, & Marine Sciences Faculty Publications

This article examines fishery management along and across the Canadian-US border through the comparison of collaborative transboundary networks in four regions: the Salish Sea, the Great Lakes, the Gulf of Maine, and the northern region including the Gulf of Alaska and the Hecate Strait. Transnational fishery management is an inter-organizational and multi-jurisdictional enterprise constituted by shared understandings of a suite of tasks and by communications among the participants. We use survey data to summarize the inter-organizational scale and participation in the networks, the centrality of different organization types, the factors that contribute to network formation, other ideational network traits like …

Riverbank Erosion In The Ganges Reach Of Bangladesh: Influence Of Geotechnical Factors And Seasonal Water Level Fluctuations, Sumiaya Amin Preota, Md. Mostafizur Rahman, Fazle Rabbi Joy, Md. Bodruddoza Mia, Farhad Hossain, Shariful Islam, Saba Karim

School of Earth, Environmental, & Marine Sciences Faculty Publications

This study aims to characterize the erosional behaviour of the Ganges riverbanks by investigating the geotechnical properties and seasonal hydrological fluctuation in Bangladesh. Multi-temporal satellite images (1973–2020) were analysed using Geographic Information System (GIS) to select study locations for detailed analysis. The GIS-based analysis identified erosion-accretion patterns and highlighted erosion-prone and stable riverbank locations. Further, field investigation, geotechnical laboratory analyses, and slope stability model using SLIDE software were used to assess the targeted study factors from the selected locations. Field investigation and geotechnical assessments revealed that bank material cohesion and composition strongly influence erosion. River flow at the outer bends …

Why Text Prevails: Vision May Undermine Multimodal Medical Decision Making, Siyuan Dai, Lunxiao Li, Kun Zhao, Eardi Lila, Paul K. Crane, Heng Huang, Dongkuan Xu, Haoteng Tang

Computer Science Faculty Publications

With the rapid progress of large language models (LLMs), advanced multimodal large language models (MLLMs) have demonstrated impressive zero-shot capabilities on vision–language tasks. In the biomedical domain, however, even state-of-the-art MLLMs struggle with basic Medical Decision Making (MDM) tasks. We investigate this limitation using two challenging datasets: (1) three-stage Alzheimer’s disease (AD) classification (normal, mild cognitive impairment, dementia), where category differences are visually subtle, and (2) MIMICCXR chest radiograph classification with 14 non–mutually exclusive conditions. Our empirical study shows that text-only reasoning consistently outperforms vision-only or vision–text settings, with multimodal inputs often performing worse than text alone. To mitigate this, …

Measuring What Matters: Specifications Grading And Latin* Students’ Mathematics Identity, Luis Miguel Fernández, Mayra Ortiz Galarza, Cristina Villalobos, Martha Asare

School of Mathematical & Statistical Sciences Faculty Publications

This study examined Specifications Grading, an alternative grading system emphasizing clearly defined learning outcomes and revision, and mathematics identity among 846 Latin* Calculus I students at a Hispanic-Serving Institution. Mathematics identity, comprising competence/performance, recognition, and interest, was measured at the beginning and end of the semester. Repeated-measures analyses indicated stable competence/performance and recognition alongside declines in interest. Specifications Grading was associated with increased mathematics identity, and multilingual students experienced smaller declines than their peers overall.

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Este estudio examinó la calificación por especificaciones, un sistema de evaluación alternativo que enfatiza resultados de aprendizaje claramente definidos y oportunidades estructuradas de revisión, …

Vaccination Games Of Boundedly Rational Parents Toward New Childhood Immunization, Wei Yin, Martial L. Ndeffo-Mbah, Tamer Oraby

School of Mathematical & Statistical Sciences Faculty Publications

Infectious diseases harm societies through disease-induced morbidity, mortality, loss of productivity, and inequality. Thus, controlling and preventing them is critical for public health and societal well-being. However, societies can hinder efforts to control the spread of diseases by failing to adhere to public health recommendations, such as through vaccine hesitancy. Various disease-transmission models have been utilized to help policymakers respond to (re)emerging outbreaks. The usefulness of such models in assessing the effectiveness of public health policies is significantly dependent on human behavior. This paper introduces a new model of parental behavior toward a new childhood immunization. The model incorporates societal …

Identical Vanishing Of Coefficients In The Series Expansion Of Eta Quotients, Modulo 4, 9 And 25, Tim Huber, James Mclaughlin, Dongxi Ye

School of Mathematical & Statistical Sciences Faculty Publications

Let A(q)=:∑∞n=0anqn and B(q)=:∑∞n=0bnqn be two eta quotients. In some previous papers, the present authors considered the problem of when

an=0⟺bn=0.

In the present paper we consider the “mod m” version of this problem, i.e. for which eta quotients A(q) and B(q) and for which integers m>1 do we have (non-trivially) that

an≡0(modm)⟺bn≡0(modm)?

(We say “non-trivially” as there are trivial situations where an≡bn(modm) for all n≥0). The m for which we found non-trivial (in the sense just mentioned) results were m=p2, p=2,3 and 5. For m=4 and m=9, we found results which …

Hybrid Vision Transformer–Cnn Framework For Alzheimer’S Disease Cell Type Classification: A Comparative Study With Vision–Language Models, Md Easin Hasan, Md Tahmid Hasan Fuad, Omar Sharif, Amy Wagler

School of Mathematical & Statistical Sciences Faculty Publications

Accurate identification of Alzheimer’s disease (AD)-related cellular characteristics from microscopy images is essential for understanding neurodegenerative mechanisms at the cellular level. While most computational approaches focus on macroscopic neuroimaging modalities, cell type classification from microscopy remains relatively underexplored. In this study, we propose a hybrid vision transformer–convolutional neural network (ViT–CNN) framework that integrates DeiT-Small and EfficientNet-B7 to classify three AD-related cell types—astrocytes, cortical neurons, and SH-SY5Y neuroblastoma cells—from phase-contrast microscopy images. We perform a comparative evaluation against conventional CNN architectures (DenseNet, ResNet, InceptionNet, and MobileNet) and prompt-based multimodal vision–language models (GPT-5, GPT-4o, and Gemini 2.5-Flash) using zero-shot, few-shot, and chain-of-thought …

Anomalous Spontaneous Induction Of Magnetic And Electric Fields In Dense Quark Matter, Efrain J. Ferrer, Jose Miguel Perez-Fernandez

Physics & Astronomy Faculty Publications

In this paper, we will demonstrate that a dense quark-matter system in the dual chiral density wave (DCDW) phase behaves as a ferromagnet in the sense that its magnetic-field dependent magnetization remains different from zero even at 𝐵 →0. The corresponding permanent magnetization is a function of the baryonic chemical potential 𝜇, decreasing up to zero as 𝜇 increases in the range of intermediate densities (312  MeV⩽𝜇⩽342  MeV) and then increasing from zero in the higher density interval 490  MeV⩽𝜇⩽550  MeV. We will show that this system’s ability to generate permanent magnetization, together with the existence of the axial anomaly, …

Discrete Quantization On Spherical Geometries: Explicit Models, Computations, And Didactic Exposition, Mrinal Kanti Roychowdhury

School of Mathematical & Statistical Sciences Faculty Publications

This article presents a comprehensive and analytically explicit study of optimal discrete quantization on spherical geometries equipped with the geodesic metric. Focusing on highly symmetric configurations on the unit sphere 𝕊2, we investigate three explicit models of discrete uniform distributions and derive closed-form expressions for their optimal quantizers and corresponding mean square quantization errors. (I) For N equally spaced points on the equator, we obtain exact error formulas for both divisible and non-divisible cases 𝑛 ∤𝑁, demonstrating that optimal Voronoi cells form contiguous arcs with midpoint representatives. (II) For two antipodally symmetric small circles at latitudes ±𝜙0, each with M …

Electrocatalytic Degradation Of Methylene Blue Using Rgo, Sb2o3, And Rgo-Sb2o3 Composite Ink-Based Electrodes, Maria Irene Myers Armas, Andrea M. Fletes, Thomas Eubanks, Arnulfo Mar, Jason Parsons, Helia Magali Morales

School of Integrative Biological & Chemical Sciences Faculty Publications

Water pollution from industrial dyes is a critical challenge due to the resistance of these types of compounds to degradation and potentially harmful effects on living organisms and human health. In this study, the electrochemical degradation of methylene blue (MB) was investigated using ink-based copper foam electrodes with reduced graphene oxide (rGO), antimony trioxide (Sb2O3), and rGO/Sb2O3 composites. The materials used to synthesize the electrodes were characterized by X-ray diffraction (XRD), which showed the successful synthesis of GO, rGO, and the Sb2O3-rGO composite. Additionally, the synthesized electrodes were examined using SEM. The MB degradation was studied using kinetic behavior and …

A 682-Second X-Ray Periodicity In Ch Cygni: Evidence For A Magnetic White Dwarf, Manuel Pichardo Marcano, Thomas J. Maccarone, Liliana E. Rivera Sandoval

Physics & Astronomy Faculty Publications

Symbiotic stars are interacting binaries consisting of a red giant and typically a white dwarf (WD), which are important as potential Type Ia supernova progenitors. Despite theoretical predictions that WDs in symbiotic systems should often be magnetic, direct evidence has been elusive. We report the discovery of a 682.5 ± 7 s periodicity in the XMM–Newton X-ray light curve that we interpret as the spin period of the WD in CH Cygni. This detection provides strong evidence for a magnetic WD in CH Cygni, making it only the second WD symbiotic star with confirmed X-ray pulsations after R Aquarii. Our …

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 …

Systematic Synthesis Of Crispr/Cas Applications For Enhancing Salt Tolerance In Crops: A Decade Of Progress And Challenges, Xindi Sun, Fusheng Wu, Zhuanzhuan Ma, Guohao Liang, Shumei Chen, Xutong Hu, Shugao Fan, Ying Zhao

School of Mathematical & Statistical Sciences Faculty Publications

Soil salinity is a major constraint on global crop productivity, driving the need for salt-tolerant varieties. While CRISPR-Cas genome editing offers targeted solutions for trait improvement, significant biological and technical bottlenecks limit its application in conferring salt stress resilience. This systematic summarizes findings from 83 peer-reviewed studies (2015–2024) employing CRISPR/Cas technologies to improve salt tolerance in five major crops (rice, wheat, maize, sorghum, barley). Our systematic review reveals that early single-gene edits achieved modest gains (30–50% Na⁺ exclusion) but often showed limited yield gains in field settings, potentially due to compensatory regulation and environmental variation. The literature suggests that multiplex …

A Solution To The Tension Of Burning On Neutron Stars And Nuclear Physics, Yuri Cavecchi, D. K. Galloway, A. Heger, P. Santillán-Ortega, M. Nava-Callejas, F. M. Vincentelli, Liliana E. Rivera Sandoval, A. Goodwin, Z. Johnston

Physics & Astronomy Faculty Publications

When neutron stars accrete matter from a companion star, this matter forms a disk around them and eventually falls on their surface. Here, the fuel can ignite into bright flashes called Type I bursts. Theoretical calculations based on state-of-the-art nuclear reactions are able to explain many features of the bursts. However, models predict that the bursts should cease at high accretion rates, whereas in many sources they disappear at much lower rates. Moreover, their recurrence times also show strong discrepancies with predictions. Although various solutions have been proposed, none can account for all the observational constraints. Here, we describe a …

Flips In Two-Dimensional Hypertriangulations, Herbert Edelsbrunner, Alexey Garber, Mohadese Ghafari, Teresa Heiss, Morteza Saghafian

School of Mathematical & Statistical Sciences Faculty Publications

We study flips in hypertriangulations of planar points sets. Here a level-k hypertriangulation of n points in the plane is a subdivision induced by the projection of a k-hypersimplex, which is the convex hull of the barycenters of the (k−1)-dimensional faces of the standard (n−1)-simplex. In particular, we introduce four types of flips and prove that the level-2 hypertriangulations are connected by these flips.

Constrained Quantization For Probability Distributions, Megha Pandey, Mrinal Kanti Roychowdhury

School of Mathematical & Statistical Sciences Faculty Publications

In this work, we extend the classical framework of quantization for Borel probability measures defined on normed spaces ℝ𝑘 by introducing and analyzing the notions of the nth constrained quantization error, constrained quantization dimension, and constrained quantization coefficient. These concepts generalize the well-established nth quantization error, quantization dimension, and quantization coefficient, which are traditionally considered in the unconstrained setting and thereby broaden the scope of quantization theory. A key distinction between the unconstrained and constrained frameworks lies in the structural properties of optimal quantizers. In the unconstrained setting, if the support of P contains at least n elements, then the …

Demographic And Other Correlates Of Non-Prescription Drug Use Among College Students During The Covid-19 Pandemic, Subi Gandhi, Sidketa Fofana, Md Rafiul Islam, Tamer Oraby

School of Mathematical & Statistical Sciences Faculty Publications

Background and objectives: Substance use among college students in the U.S. remains a pressing concern and may have intensified during the COVID-19 pandemic due to increased stress, uncertainty, and academic disruptions. This study investigates the relationship between non-prescription drug use and various demographic, mental health, and behavioral factors among college students during the pandemic's early stages.

Methods: Data were collected through online and in-person surveys in the summer semester of 2021. Behavioral health was assessed using validated instruments: the Patient Health Questionnaire-9 (PHQ-9) for depression and the Drug Abuse Screening Test-20 (DAST-20) for substance use. Demographic and behavioral variables were …

Reachability In Interactive Chemical Reaction Networks, Aberto Avila-Jimenez, Bin Fu, Elise Grizzell, Robert Schweller, Tim Wylie

Computer Science Faculty Publications

This paper studies the effects of interactivity on molecular computation, specifically in the Step Chemical Reaction Networks model (Step CRNs), by adding the ability for a user to interact with the system by selecting which species to add at each step, or by having some control over which reactions execute. The two proposed variants are Interactive CRNs and Randomized Interactive CRNs. We show that in Interactive CRNs, even when restricted to void (deletion-only) rules of relatively small size, if a user can decide which species to add at each step based on the configuration, reachability is PSPACE-complete when bounded and …

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) …

Recurrence Of Locally Perturbed Random Walks With Long Jumps, Tamer Oraby, András Telcs

School of Mathematical & Statistical Sciences Faculty Publications

We study the effect of local perturbations on the recurrence of random walks with long jumps. Such walks serve as discrete models for infinite-horizon Lorentz processes, in which a particle can take arbitrarily long steps in specific directions. Motivated by a question of Sinai in the finite-horizon case and its extension by Szász to the infinite-horizon setting, we give recurrence and transience criteria for long-jump walks on Z2 and certain classes of graphs, and we prove that local perturbations in a bounded region do not change the recurrence property. Our proofs combine the Markov chain approach with the electrical network …

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) …