Physics (Scholarly Publications)
Recent Submissions
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Real-World Urban Light Emission Functions and Quantitative Comparison with Spacecraft Measurements
(2023)We provide quantitative results from GIS-based modelling of urban emission functions for a range of representative low- and mid-rise locations, ranging from individual streets to residential communities within cities, as ... -
Ab initio study of alkali-metal-based bismuth selenides (A BiSe2; A = K, Na) for photovoltaic and thermoelectric applications
(2024)Iron pentacarbonyl (IPC) gas forms upon the reaction of carbon monoxide with Fe containing metallic surfaces under gas reforming conditions. IPC formation can sometimes reach alarming levels that cause metal loss, pipeline ... -
Hemicellulose pyrolysis: mechanism and kinetics of functionalized xylopyranose
(2024)This work analyzes the thermochemical kinetic influence of the most prominent functionalizations of the β-d-xylopyranose motif, specifically 4-methoxy, 5-carboxyl, and 2-O-acetyl, regarding the pyrolytic depolymerization ... -
Thermometry by correlated dephasing of impurities in a one-dimensional Fermi gas
(2024)We theoretically investigate the pure dephasing dynamics of two static impurity qubits embedded within a common environment of ultracold fermionic atoms, which are confined to one spatial dimension. Our goal is to ... -
Machine-Learning-Assisted Construction of Ternary Convex Hull Diagrams
(Journal of Chemical Information and Modeling, 2024-01-25)In the search for novel intermetallic ternary alloys, much of the effort goes into performing a large number of ab initio calculations covering a wide range of compositions and structures. These are essential to building ... -
Cluster expansion constructed over Jacobi-Legendre polynomials for accurate force fields
(2023)We introduce a compact cluster expansion method constructed over Jacobi and Legendre polynomials to generate highly accurate and flexible machine-learning force fields. The constituent many-body contributions are separated, ... -
Linear Jacobi-Legendre expansion of the charge density for machine learning-accelerated electronic structure calculations
(2023)As the go-to method to solve the electronic structure problem, Kohn-Sham density functional theory (KS-DFT) can be used to obtain the ground-state charge density, total energy, and several other key materials’ properties. ... -
Ab Initio and Kinetic Modeling of β-d-Xylopyranose under Fast Pyrolysis Conditions
(2024)Lignocellulosic biomass is an abundant renewable resource that can be upgraded to chemical and fuel products through a range of thermal conversion processes. Fast pyrolysis is a promising technology that uses high temperatures ... -
Spectroscopic Identification of the Charge Transfer State in Thiophene/Fullerene Heterojunctions: Electroabsorption Spectroscopy from GW/BSE Calculations
(2023)Creation of charge transfer (CT) states in bulk heterojunction systems such as C60/polymer blends is an important intermediate step in creation of carriers in organic photovoltaic systems. CT states generally have ... -
Optimizing performance of quantum operations with non-Markovian decoherence: the tortoise or the hare?
(2024)The interaction between a quantum system and its environment limits our ability to control it and perform quantum operations on it. We present an efficient method to find optimal controls for quantum systems coupled to ... -
Equilibrium shape of a bubble in a liquid-filled horizontal capillary
(2024)Bubbles in liquid-filled capillaries feature in many practical applications. Here we describe the equilibrium shape of a bubble in a horizontal capillary of circular cross section, as computed numerically using energy ... -
Superlubric Sliding of Graphene Auto-Kirigami with Interfaces Containing Self-Assembled Stripe-Pattern Adsorbates
(2024)Van der Waals heterostructures formed by stacked 2D materials show exceptional electronic, mechanical, and optical properties. Superlubricity, a condition where atomically flat, incommensurate planes of atoms results in ... -
Electrical detection of spin pumping in van der Waals ferromagnetic Cr2Ge2Te6 with low magnetic damping
(2023)The discovery of magnetic order in atomically-thin van der Waals materials has strengthened the alliance between spintronics and two-dimensional materials. An important use of magnetic two-dimensional materials in spintronic ... -
Realization of Zero-Field Skyrmions in a Magnetic Tunnel Junction
(2023)Magnetic skyrmions are topologically protected noncollinear spin textures, which are regarded as promising information carriers for next-generation spintronic devices due to their small size and the low current density ... -
Magnetic Field Enhancement of Water Evaporation in Confined Spaces
(2023)Water is studied in confined environments where it evaporates into its own vapor. Simultaneous experiments are conducted for 0.4–0.5 µL droplets confined at the center of 54 mm long microchannels with a cross section of ... -
Deterministic multi-level spin orbit torque switching using focused He+ ion beam irradiation
(2023)He+ ion irradiation is used to pattern multiple areas of Pt/Co/W films with different irradiation doses in Hall bars. The resulting perpendicular magnetic anisotropy landscape enables selective multilevel current-induced ... -
Influence of topology on the phase transition of a ferromagnetic metal
(2023)The topological ferromagnet CoS2 exhibits an anhysteretic, weakly first-order transition at the Curie temperature of 119.8 K with a tricritical point µ0Htcp at 0.034 T. Magnetic symmetry and the mixing of majority and ... -
Ferromagnetic resonance damping mechanisms in CoFeB thin films with Cr substitution
(2023)The substitution of iron atoms by chromium in CoFeB films has been proposed to reduce the critical current density Jc for current-driven magnetization switching in spin transfer torque devices by reducing its magnetization. ... -
A fully compensated ferrimagnetic half metal Co1-xCrxS2 with Curie temperature above room temperature
(2023)Fully compensated ferrimagnetic half metals have attracted great attention in spintronics. Unlike many previous calculations based on hypothetical ordered alloys, here we look for existing solid solution series taking as ...