Physics (Scholarly Publications)
Recent Submissions
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Quantum thermodynamics of driven-dissipative condensates
(2024)Polariton condensates occur away from thermal equilibrium, in an open system where heat and particles are continually exchanged with reservoirs. These phenomena have been extensively analyzed in terms of kinetic equations. ... -
Synchronization and spacetime vortices in one-dimensional driven-dissipative condensates and coupled oscillator models
(2023)Driven-dissipative condensates, such as those formed from polaritons, expose how the coherence of Bose-Einstein condensates evolves far from equilibrium. We consider the phase and frequency ordering in the steady-states ... -
Unifying methods for optimal control in non-Markovian quantum systems via process tensors
(2024)The large dimensionality of environments is the limiting factor in applying optimal control to open quantum systems beyond the Markovian approximation. Various methods exist to simulate non-Markovian systems, which ... -
OQuPy: A Python package to efficiently simulate non-Markovian open quantum systems with process tensors
(2024)Non-Markovian dynamics arising from the strong coupling of a system to a structured environment is essential in many applications of quantum mechanics and emerging technologies. Deriving an accurate description of general ... -
Revisiting the bonding evolution theory: a fresh perspective on the ammonia pyramidal inversion and bond dissociations in ethane and borazane
(2023)This work offers a comprehensive and fresh perspective on the bonding evolution theory (BET) frame- work, originally proposed by Silvi and collaborators [X. Krokidis, S. Noury and B. Silvi, Characterization of elementary ... -
On the Notation of Catastrophes in the Framework of Bonding Evolution Theory: Case of Normal and Inverse Electron Demand Diels-Alder Reactions
(2022)This paper generalizes very recent and unexpected findings [J. Phys. Chem. A, 2021, 125, 5152–5165] regarding the known “direct- and inverse-electron demand” Diels-Alder mechanisms. Application of bonding evolution theory ... -
Ab initio comparison of spin-transport properties in MgO-spaced ferrimagnetic tunnel junctions based on Mn3Ga and Mn3Al
(2023)We report on first-principles spin-polarised quantum transport calculations (from NEGF + DFT) in MgO-spaced magnetic tunnel junctions (MTJs) based on two different Mn-based Heusler ferrimagnetic metals, namely Mn3Al and ... -
The topological soliton in Peierls semimetal Sb
(2024)Sb is a three-dimensional Peierls insulator. The Peierls instability gives rise to doubling of the translational period along the [111] direction and alternating van der Waals and covalent bonding between (111) atomic ... -
High-performance p-type V2O3 films by spray pyrolysis for transparent conducting oxide applications
(2024)High-quality epitaxial p-type V2O3 thin films have been synthesized by spray pyrolysis. The films exhibited excellent electrical performance, with measurable mobility and high carrier concentration. The conductivity of the ... -
Miniaturized spectrometer with intrinsic long-term image memory
(2024)Miniaturized spectrometers have great potential for use in portable optoelectronics and wearable sensors. However, current strategies for miniaturization rely on von Neumann architectures, which separate the spectral ... -
Accelerating Nature: Induced Atomic Order in Equiatomic FeNi
(2024)The production of locally atomically ordered FeNi (known by its meteoric mineral name, tetrataenite) is confirmed in bulk samples by simultaneous conversion X-ray and backscattered γ-ray 57Fe Mössbauer spectroscopy. Up to ... -
Phonon and Magnon Jets above the Critical Current in Nanowires with Planar Domain Walls
(2023)We show through nonequilibrium nonadiabatic electron-spin-lattice simulations that above a critical current in magnetic atomic wires with a narrow domain wall (DW), a couple of atomic spaces in width, the electron flow ... -
Hardware, methodology and applications of 2+D backscatter Mössbauer spectroscopy with simultaneous x-ray and γ-ray detection
(2024)A unique method is presented for the acquisition and analysis of 57Fe backscatter Mössbauer spectra with simultaneous detection of the resonant 14.4 keV γ-rays and the characteristic 6.4 keV x-rays, using a custom-built ... -
Mn4-xGaxN Thin Films for Ferrimagnetic Spintronics
(2023)Ferrimagnetic compensation in Mn4−xGaxN (0<x<0.27) thin films grown by sputtering on (001) MgO is determined from magnetisation and Anomalous Hall effect measurements and compared with results on the bulk material. ... -
Many-Body Theory Calculations of Positron Scattering and Annihilation in H2, N2, and CH4
(2023)The recently developed ab initio many-body theory of positron molecule binding [J. Hofierka et al., Many-body theory of positron binding to polyatomic molecules, Nature (London) 606, 688 (2022)] is combined with the ... -
Many-body theory calculations of positron binding to halogenated hydrocarbons
(2024)Positron binding energies in halogenated hydrocarbons are calculated ab initio using many-body theory. For chlorinated molecules, including planars for which the interaction is highly anisotropic, very good to excellent ... -
Elucidating the N-N and C-N Bond-breaking Mechanism in the Photoinduced Formation of Nitrile Imine
(2023)In this study, we revealed the significance of chemical bonding for the photochemically induced mechanism of 2-phenyl tetrazole derivatives generating nitrile imines. The correlated electron localization function shows ... -
Uncovering Triradicaloid Structures in S1 Benzene Photochemistry**
(Wiley, 2023)Theoretical evidence concerning the multiradicaloid character in benzene photochemistry is reported based on a topological analysis of the correlated electron localization function. The bonding implications of triradicaloid ... -
Positron annihilation and binding in aromatic and other ring molecules
(2024)Measured annihilation spectra are presented for aromatic and heterocyclic ring molecules resolved as a function of incident positron energy using a trap-based positron beam. Comparisons with the vibrational mode spectra ... -
Chiroptically active quantum nanonails
(2024)In recent years, extensive research efforts have been dedicated to the investigation of CdSe/CdS-based quantum-confined nanostructures, driven by their distinctive properties. The morphologies of these nanostructures have ...