Physics (Scholarly Publications)
Recent Submissions

Quantum thermodynamics of drivendissipative 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 onedimensional drivendissipative condensates and coupled oscillator models
(2023)Drivendissipative condensates, such as those formed from polaritons, expose how the coherence of BoseEinstein condensates evolves far from equilibrium. We consider the phase and frequency ordering in the steadystates ... 
Unifying methods for optimal control in nonMarkovian 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 nonMarkovian systems, which ... 
OQuPy: A Python package to efficiently simulate nonMarkovian open quantum systems with process tensors
(2024)NonMarkovian 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 DielsAlder Reactions
(2022)This paper generalizes very recent and unexpected findings [J. Phys. Chem. A, 2021, 125, 5152–5165] regarding the known “direct and inverseelectron demand” DielsAlder mechanisms. Application of bonding evolution theory ... 
Ab initio comparison of spintransport properties in MgOspaced ferrimagnetic tunnel junctions based on Mn3Ga and Mn3Al
(2023)We report on firstprinciples spinpolarised quantum transport calculations (from NEGF + DFT) in MgOspaced magnetic tunnel junctions (MTJs) based on two different Mnbased Heusler ferrimagnetic metals, namely Mn3Al and ... 
The topological soliton in Peierls semimetal Sb
(2024)Sb is a threedimensional 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 ... 
Highperformance ptype V2O3 films by spray pyrolysis for transparent conducting oxide applications
(2024)Highquality epitaxial ptype 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 longterm 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 Xray and backscattered γray 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 electronspinlattice 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 xray and γray 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 γrays and the characteristic 6.4 keV xrays, using a custombuilt ... 
Mn4xGaxN 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. ... 
ManyBody Theory Calculations of Positron Scattering and Annihilation in H2, N2, and CH4
(2023)The recently developed ab initio manybody theory of positron molecule binding [J. Hofierka et al., Manybody theory of positron binding to polyatomic molecules, Nature (London) 606, 688 (2022)] is combined with the ... 
Manybody theory calculations of positron binding to halogenated hydrocarbons
(2024)Positron binding energies in halogenated hydrocarbons are calculated ab initio using manybody theory. For chlorinated molecules, including planars for which the interaction is highly anisotropic, very good to excellent ... 
Elucidating the NN and CN Bondbreaking 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 2phenyl 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 trapbased 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/CdSbased quantumconfined nanostructures, driven by their distinctive properties. The morphologies of these nanostructures have ...