activity
19992026
most citedAtomic adsorption on pristine graphene along the Periodic Table of Elements - From PBE to non-local functionals

84 citations · 336 across the 28 of their papers we have counts for

collaborators

30 papers

stat.ME2026

Estimating Item Difficulty with Large Language Models as Experts

Diana Kolesnikova, Kirill Fedyanin, Abe D. Hofman +2

Accurate estimates of item difficulty are essential for valid assessment and effective adaptive learning. However, for newly created tasks, response data are typically unavailable.…

cond-mat.mtrl-sci2026

Engineering Electrochromism in Ni-Deficient NiO through Defect, Dopant, and Strain Coupling

Katarina Jakovljević, Ana S. Dobrota, Igor A. Pašti +1

The electrochromic response of Ni-deficient NiO is governed by vacancy-mediated electronic processes that can be strongly influenced by dopant chemistry and lattice deformation. Us…

cond-mat.mtrl-sci2026

Defect-Engineered h-BN as a Platform for Single-Atom HER Catalysts: Descriptor Screening Refined by Electrochemical Stability Analysis

Ana S. Dobrota, Natalia V. Skorodumova, Igor A. Pašti

Defect engineering enables hexagonal boron nitride (h-BN) to act as a platform for stabilizing isolated metal atoms, yet systematic identification of catalytically viable motifs re…

cond-mat.mtrl-sci2026

Single-Atom Adsorption on h-BN along the Periodic Table of Elements: From Pristine Surface to Vacancy-Engineered Sites

Ana S. Dobrota, Natalia V. Skorodumova, Igor A. Pašti

The adsorption of single atoms on pristine and defected hexagonal boron nitride (h-BN) was systematically investigated using density functional theory. Elements from the first thre…

quant-ph2025★ 3 cited

Entropy dynamics for a harmonic propeller-shaped planar molecular quantum Brownian rotator

J. Jeknic-Dugic, I. Petrovic, M. Arsenijevic +1

Dynamic stability is vital for the operation and control of molecular nanodevices, particularly molecular cogwheels in an external harmonic field. We used the relative change in ro…

math.AP2025

Modelling Capillary Rise with a Slip Boundary Condition: Well-posedness and Long-time Dynamics of Solutions to Washburn's Equation

Isidora Rapajić, Srboljub Simić, Endre Süli

The aim of this paper is to extend Washburn's capillary rise equation by incorporating a slip condition at the pipe wall. The governing equation is derived using fundamental princi…