Physics (Scholarly Publications)
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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 ...