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This paper presents a detailed computational protocol for atomistic simulation of the formation and growth of metal-containing nanostructures during the Focused Electron Beam Induced Deposition (FEBID) process. The protocol is based upon…
Native electrospray ionization/ion mobility-mass spectrometry (ESI/IM-MS) allows an accurate determination of low-resolution structural features of proteins. Yet, the presence of proton dynamics, observed already by us for DNA in the gas…
Electrochemical insertion-deintercalation reactions are typically associated with significant change of molar volume of the host compound. This strong coupling between ionic currents and strains underpins image formation mechanisms in…
Electron transparent TEM lamella with unaltered microstructure and chemistry is the prerequisite for successful TEM explorations. Currently, TEM specimen preparation of quantum nanostructures, such as quantum dots (QDs), remains a…
The design and capability of a novel time-of-flight secondary ion mass spectrometry electrospray propulsion diagnostic is presented to investigate secondary species emission from surface impingement of high-velocity, energetic molecular ion…
To engineer the next generation of advanced materials we must understand their microstructure, and this requires microstructural characterization. This can be achieved through the collection of high contrast, data rich, and insightful…
Focused electron beam induced deposition (FEBID) is a direct-write method for the fabrication of nanostructures whose lateral resolution rivals that of advanced electron lithography but is in addition capable of creating complex…
In this review, we aim to introduce the reader to the technique of electrical impedance spectroscopy (EIS) with a focus on its biological and medical applications. We explain the theoretical and experimental aspects of the EIS with the…
This thesis examines the empirical mode decomposition (EMD), a method for decomposing multicomponent signals, from a modern, both theoretical and practical, perspective. The motivation is to further formalize the concept and develop new…
Energy-based models (EBMs) provide a powerful and flexible way of learning a joint probability distribution over data by constructing an energy surface. This energy surface enables insight extraction and conditional sampling. We apply EBMs…
An innovative multi-functional static-passive electromagnetic skin (SP-EMS) solution is proposed to simultaneously support, in reflection, two independent wave-manipulation functionalities with a single meta-atoms arrangement on the EMS…
An efficient computational approach for optimal reconstruction of binary-type images suitable for models in various applications including biomedical imaging is developed and validated. The methodology includes derivative-free optimization…
Optimally operating an integrated electricity-gas system (IEGS) is significant for the energy sector. However, the IEGS operation model's nonconvexity makes it challenging to solve the optimal dispatch problem in the IEGS. This letter…
Infrared vibrational spectroscopy in the gas phase has emerged as a powerful tool to determine complex molecular structures with Angstrom accuracy. Among the different approaches IRMPD (InfraRed Multiple Photon Dissociation), which requires…
Vibrational spectroscopy is a cornerstone technique for molecular characterization and offers an ideal target for the computational investigation of molecular materials. Building on previous comprehensive assessments of efficient methods…
Molecular spectroscopy in the mid-infrared portion of the electromagnetic spectrum (3--25 um) has been a cornerstone interdisciplinary analytical technique widely adapted across the biological, chemical, and physical sciences. Applications…
Laser flash melting and revitrification experiments have recently improved the time resolution of cryo-electron microscopy (cryo-EM) to the microsecond timescale, making it fast enough to observe many of the protein motions that are…
Quantitative ultrasound (QUS) based parameters like the effective scatterer diameter (ESD) and mean scatterer spacing (MSS) are gaining attention recently as non-invasive biomarkers for soft tissue characterization. In this work, we propose…
Proteins are vital biological molecules found in every living organism, and their function is determined by what shape they fold into. Peptides are essentially subsets of proteins, and therefore ideal as model systems for protein folding.…
In this work, we present Enhanced Representation-Based Sampling (ERBS), a novel enhanced sampling method designed to generate structurally diverse training datasets for machine-learned interatomic potentials. ERBS automatically identifies…