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An introduction to the Quantum Chemistry Package (QCP), implemented in the computer algebra system Maple, is presented. The QCP combines sophisticated electronic structure methods and Maple's easy-to-use graphical interface to enable…

Physics Education · Physics 2021-04-01 Jason M. Montgomery , David A. Mazziotti

Manipulation planning is the task of computing robot trajectories that move a set of objects to their target configuration while satisfying physically feasibility. In contrast to existing works that assume known object templates, we are…

Robotics · Computer Science 2019-09-17 Wei Gao , Russ Tedrake

Understanding the ultrafast vibrational relaxation following photoexcitation of molecules in a condensed phase is essential to predict the outcome and improve the efficiency of photoinduced molecular processes. Here, the vibrational…

Chemical Physics · Physics 2025-02-18 Benedikt O Birgisson , Asmus Ougaard Dohn , Hannes Jónsson , Gianluca Levi

The cold emission of particles from surfaces under intense electric fields is a process which underpins a variety of applications including atom probe tomography (APT), an analytical microscopy technique with near-atomic spatial resolution.…

We develop PLATYPOS (PLAneTarY PhOtoevaporation Simulator), a python code to perform planetary photoevaporative mass-loss calculations for close-in planets with hydrogen-helium envelopes atop Earth-like rocky cores. With physical and model…

Earth and Planetary Astrophysics · Physics 2022-01-07 Laura Ketzer , Katja Poppenhaeger

Quantum metrology research promises approaches to build new sensors that achieve the ultimate level of precision measurement and perform fundamentally better than modern sensors. Practical schemes that tolerate realistic fabrication…

Neutral atom quantum computers require accurate single atom detection for the preparation and readout of their qubits. This is usually done using fluorescence imaging. The occupancy of an atom site in these images is often somewhat…

Quantum Physics · Physics 2023-10-05 Jonas Winklmann , Dimitrios Tsevas , Martin Schulz

A novel fusion python application of data mining techniques (DMT) was designed and implemented to locate, identify, and delineate the subsurface structural pattern (SSP) of source rocks for the features of interest underlain the study area.…

Signal Processing · Electrical Eng. & Systems 2020-06-15 John Stephen Kayode , Yusri Yusup

The availability of efficient photon sources with specific properties is important for quantum-technological applications. However, the realization of such photon sources is often challenging and hence alternative perspectives that suggest…

Owing to strongly enhanced bulk sensitivity, angle- or momentum-resolved photoemission using X-rays is an emergent powerful tool for electronic structure mapping. A novel full-field k-imaging method with time-of-flight energy detection…

Utilizing the Pauli equation based multislice method, introduced in Phys. Rev. Lett. 116, 127203 (2016), we study the atomic resolution differential phase contrast (DPC) imaging on an example of a hard magnet FePt with in-plane…

Materials Science · Physics 2019-06-05 Alexander Edström , Axel Lubk , Ján Rusz

Photo-Acoustic Tomography (PAT) can reconstruct a distribution of optical absorbers acting as instantaneous sound sources in subcutaneous microvasculature of a human breast. Adjoint methods for PAT, typically Time-Reversal (TR) and…

Numerical Analysis · Mathematics 2018-06-25 Hongxiang Lin , Takashi Azuma , Mehmet Burcin Unlu , Shu Takagi

Photosynthesis is an important and complex physical process in nature, whose comprehensive understanding would have many relevant industrial applications, for instance in the field of energy production. In this paper we propose a quantum…

We present the VASPKIT, a command-line program that aims at providing a powerful and user-friendly interface to perform high-throughput analysis of a variety of material properties from the raw data produced by the VASP code. It consists of…

Materials Science · Physics 2021-06-03 Vei Wang , Nan Xu , Jin Cheng Liu , Gang Tang , Wen-Tong Geng

The performance of organic optoelectronic devices is critically dependent on how molecules orient within organic thin films. Yet, standard characterization techniques only reveal the first and second moments of the molecular orientation…

This paper presents EROAM, a novel event-based rotational odometry and mapping system that achieves real-time, accurate camera rotation estimation. Unlike existing approaches that rely on event generation models or contrast maximization,…

Computer Vision and Pattern Recognition · Computer Science 2026-01-30 Wanli Xing , Shijie Lin , Linhan Yang , Zeqing Zhang , Yanjun Du , Maolin Lei , Yipeng Pan , Chen Wang , Jia Pan

Two-photon photoacoustic tomography (TP-PAT) is a non-invasive optical molecular imaging modality that aims at inferring two-photon absorption property of heterogeneous media from photoacoustic measurements. In this work, we analyze an…

Analysis of PDEs · Mathematics 2017-05-01 Kui Ren , Rongting Zhang

Real-space refinement of atomic models in macromolecular crystallography or in cryo electron microscopy fits a model to a map obtained experimentally. This requires generating model maps of a limited resolution which moreover may vary from…

Computational Engineering, Finance, and Science · Computer Science 2022-06-22 Ludmila Urzhumtseva , Vladimir Y. Lunin , Alexandre Urzhumtsev

Scanning Kelvin probe microscopy (SKPM) is a powerful technique for investigating the electrostatic properties of material surfaces, enabling the imaging of variations in work function, topology, surface charge density, or combinations…

Applied Physics · Physics 2024-07-26 Isaac C. D. Lenton , Felix Pertl , Lubuna Shafeek , Scott R. Waitukaitis

This work presents the new template matching capabilities implemented in Pyxem, an open source Python library for analyzing four-dimensional scanning transmission electron microscopy (4D-STEM) data. Template matching is a brute force…