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The local structure of a protein strongly impacts its function and interactions with other molecules. Therefore, a concise, informative representation of a local protein environment is essential for modeling and designing proteins and…
Atomic Force Microscopy - Infrared (AFM-IR) has emerged as a useful technique for measuring absorption spectra with spatial resolution better than the optical diffraction limit. The technique relies on the movement of a probe for atomic…
A spreadsheet algorithm is given for the atomic force microscope that accounts for non-linear behavior in the deflection of the cantilever and in the photo-diode response. In addition, the data analysis algorithm takes into account…
Colloidal quantum dots (cQDs) recently emerged as building blocks for semiconductor materials with tuneable properties. Electro-hydrodynamic printing can be used to obtain sub-micrometre patterns of cQDs without elaborate and aggressive…
Deep generative models have shown promise for modeling metal-organic frameworks (MOFs), but existing approaches (1) rely on coarse-grained representations that assume fixed bond lengths and angles, and (2) neglect the MOF-adsorbate…
The functional properties of many technological surfaces in biotechnology, electronics, and mechanical engineering depend to a large degree on the individual features of their nanoscale surface texture, which in turn are a function of the…
Microscopic understanding of liquid properties is essential for advancing a wide range of applications from energy applications such as nuclear reactors and batteries to biomedical applications including drug delivery and microfluidics.…
Metrological AFM measurements are performed on the silica glass interfaces of photonic band-gap fibres and hollow capillaries. The freezing of attenuated out-of-equilibrium capillary waves during the drawing process is shown to result in a…
Frequency modulation (FM) Atomic Force Microscopy (AFM) with metal tips functionalized with a CO molecule at the tip apex has provided access to the internal structure of molecules with totally unprecedented resolution. We propose a model…
The atomic number contrast imaging technique reveals an increase in intensity at interfaces of a high and low-density material in case of relatively thick samples. Elastic scattering factors and absorption coefficients are incorporated in a…
Multiphase flow phenomena have been widely observed in the industrial applications, yet it remains a challenging unsolved problem. Three-dimensional computational fluid dynamics (CFD) approaches resolve of the flow fields on finer spatial…
Dynamic-mode atomic force microscopy (AFM) in liquid remains complicated due to the strong viscous damping of the cantilever resonance. Here we show that a high-quality resonance (Q>20) can be achieved in aqueous solution by attaching a…
The structural and interfacial properties of a nanoscopic liquid drops are assessed by means of mechanical, thermodynamical, and statistical mechanical approaches that are discussed in detail, including original developments at both the…
Fundamental understanding of interatomic forces in molecules must emerge from quantum mechanics, yet widely used empirical force fields rely on simplified mechanistic approximations that often fail to capture the complexity of many-body…
Colloidal probe Atomic Force Microscopy (AFM) allows to explore sliding friction phenomena in graphite contacts of nominal lateral size up to hundreds of nanometers. It is known that contact formation involves tribo-induced material…
Kelvin probe force microscopy (KPFM) is a powerful tool for studying contact electrification at the nanoscale, but converting KPFM voltage maps to charge density maps is non-trivial due to long-range forces and complex system geometry. Here…
We developed the models and algorithms to describe two main artefacts of AFM: (i) broadening effect and (ii) decreased heights of profiles for individual objects adsorbed on a hard substrate. It was shown how to measure elastic properties…
Traction Force Microscopy (TFM) computes the forces exerted at the surface of an elastic material by measuring induced deformations in volume. It is used to determine the pattern of the adhesion forces exerted by cells or by cellular…
Opto-mechano-fluidic resonators (OMFRs) are a new platform for high-throughput sensing of the mechanical properties of freely flowing microparticles in arbitrary media. Experimental extraction of OMFR mode shapes, especially the acoustic…
We present a non-reactive force field for molecular dynamics simulations of interfaces between passivated amorphous surfaces and their interaction with water. The force field enables large-scale dynamic simulations of dry and lubricated…