Research works

General-purpose LLMs as constrained crystal composition generators

Abstract The targeted discovery of inorganic materials remains challenging due to the vastness of compositional design spaces and the high cost of exhaustive screening. Task-specific generative artificial intelligence represents a particularly efficient alternative to screening,...

Between Ideals and BoPo: Daily Associations Between Exposure to Appearance Content and Body Image Among Young Individuals with Visible Differences

info:eu-repo/semantics/nonPublished

Time Crystals on Quantum Devices

Abstract Time crystals are nonequilibrium phases of matter characterized by the emergence of temporal ordering, in which an interacting many-body system develops robust structure in its time evolution that is not trivially dictated by the external driving or environment. While re...

Estimating Twomey forcing sensitivity to aerosol plume spreading rates

Abstract. The amount of sunlight that reaches Earth's surface can be reduced by increasing cloud droplet number and decreasing droplet size (i.e., Twomey forcing), a central idea underpinning the Marine Cloud Brightening strategy. Cloud albedo depends nonlinearly on cloud droplet...

Design and analysis of smooth geometry‐conforming lattices via Generalized Bézier patches

Abstract We propose a novel methodology to model globally G 1 geometry‐conforming metamaterials using Generalized Bézier‐based (GB) patches. Since every canonical tile is inscribed in a unit cube, we exploit its natural decomposition in octants and design multi‐sided patches for...

hpci improves reproducibility of computational biology research by integrating Continuous Integration with High Performance Computing clusters

Abstract Motivation The reproducibility crisis in bioinformatics and computational biology can be mitigated by using Continuous Integration (CI), a proven software engineering practice, to automate the testing of analysis pipelines and models. However, the adoption of CI in bioin...

Chemical characterization and source apportionment of PM 10 in Belgrade, Serbia: influence of local and regional anthropogenic and natural sources

Abstract. Substantial efforts and improvements in air quality across Europe lowered levels of air pollutants including particulate matter (PM) in the last decades. However, significant proportion of the European population still lives in areas exceeding WHO recommendations, espec...

Impact of the axionlike self-interactions in gravitational atoms for LISA

Ultralight bosons with self-interactions, such as axion-like particles, can form astrophysical Bose--Einstein condensates around stars or compact objects, often referred to as gravitational atoms. In this work, we adopt a recently proposed dynamical formation mechanism for these...

Data-Driven Inference of Susceptibility, Correlation, and Dynamic Responses via Machine Learning

Abstract Understanding how complex systems respond to external perturbations is essential to characterize the intrinsic properties of the systems and then to control their responses. Despite some preliminary trials via either analytical modeling or numerical calculations, it is u...

Charge-sensitive vibrational modes in BEDT-TTF salts: Signatures of charge ordering and site charge

BEDT-TTF-based organic conductors host a number of ground states, tuned by electron repulsion. Knowledge of the charge distribution on the molecular sites in these materials is key to understanding the origin of different ground states. We survey and discuss the C=C stretching mo...

Point-gap topology of damped magnon excitations in skyrmion strings

We theoretically study the non-Hermitian topology of magnons with finite lifetimes due to Gilbert damping. By incorporating the spin-wave theory and perturbation theory for the Landau-Lifshitz-Gilbert equation including nonlocal damping terms, we analytically evaluate the spectra...

Forest and bioenergy expansion amplifies climate warming by accelerating regional cloud loss

Abstract. Land use and land cover change (LUCC) can exacerbate cloud-mediated climate warming. However, the long-term response of cloud cover to LUCC remains underexplored, particularly regarding differences between idealized and realistic forest expansion scenarios, as well as b...

Theoretical Study of Iridium-Based PDT Photosensitizers for Improving Two-Photon Absorption, Triplet Lifetime, and Lipophilicity through Ligand Tuning

Abstract Iridium-based photosensitizers have attracted significant attention in photodynamic therapy (PDT) due to their exceptional photophysical properties and chemical stability, as well as tunable phosphorescence emission spectrum and high triplet state production yields. Phot...

Flow of local quantum fluids: Conservation laws and vertex corrections from many-body linear-response theory with local self-energy

In non-diffusive conduction regimes of strongly correlated quantum electron systems, electromagnetic perturbations simultaneously probe the electronic dynamics in time and space: the exchanged energy $\hbar ω$ excites retarded, i.e., frequency-dependent, many-body interactions, w...

Facile Gram-Scale Solution Phase Synthesis of a Universal Cathepsin B-Cleavable Antibody-Drug Conjugate Linker

Abstract Antibody drug conjugates (ADCs) are a key therapy in the cancer treatment arsenal. Critical to the success of the ADC is the release of the drug cargo at the desired site, and thus, enzymatically or chemically responsive linkers, connecting the drug to the antibody, play...

Dispersal diversity buffers species vulnerability to local extinction

Abstract Predicting species persistence within ecological communities is a fundamental challenge for both empirical and theoretical ecology. Existing methods span from mechanistic models, whose parameters are difficult to estimate from data, to statistical tools whose context-spe...

A Lagrangian for the Fine-Structure Constant

Tensor network formulation of the Lagrangian for the fine-structure constant α.The oscillating circle of radius R = π is represented as a circular MatrixProduct State (MPS) with bond dimension D = 45, where the bounded continuedfraction quotients q_i ≤ 45 play the role of virtual...

Leaf damage is associated with alteration of microbiome composition and abundance in the Spartina alterniflora phyllosphere

ABSTRACT Spartina alterniflora , the dominant plant species in salt marshes along the Atlantic and Gulf of Mexico coastlines of the Americas, is affected by disease and sudden vegetation dieback. Despite the foundational role of S. alterniflora in low-elevation salt marshes, the...

Controlling external injection in laser-plasma accelerators with terahertz frequency bunch manipulation

Laser-plasma wakefield acceleration (LWFA) offers ultrahigh accelerating gradients in compact setups, but the complex non-linear nature of the process makes it challenging to generate high-quality beams. Injection of electron bunches from an external source into a plasma accelera...

Structural and Evolutionary Analysis of Non-specific Lipid Transfer Proteins (nsLTPs) in Cereus (Cactaceae)

The genus Cereus (Cactaceae), widely distributed across arid and semi-arid environments of South America, exhibits adaptive capacity that is partly associated with proteins involved in lipid metabolism and stress responses, such as non-specific lipid transfer proteins (nsLTPs). A...