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The hybrid simulation tools (QM/MM) evolved into a fundamental methodology for studying chemical reactivity in complex environments. This paper presents an implementation of electronic structure calculations based on density functional theory. This development is optimized for performing hybrid molecular dynamics simulations by making use of graphic processors (GPU) for the most computationally demanding parts (exchange-correlation terms). The proposed implementation is able to take advantage of modern GPUs achieving acceleration in relevant portions between 20 to 30 times faster than the CPU version. The presented code was extensively tested, both in terms of numerical quality and performance over systems of different size and composition.

Abstract-We present a simple and robust monocular camerabased navigation system for an autonomous quadcopter. The method does not require any additional infrastructure like radio beacons, artificial landmarks or GPS and can be easily combined with other navigation methods and algorithms. Its computational complexity is independent of the environment size and it works even when sensing only one landmark at a time, allowing its operation in landmark poor environments. We also describe an FPGA based embedded realization of the method's most computationally demanding phase.

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Abstract-We present a fast and precise vision-based software intended for multiple robot localization. The core component of the proposed localization system is an efficient method for black and white circular pattern detection. The method is robust to variable lighting conditions, achieves sub-pixel precision, and its computational complexity is independent of the processed image size. With off-the-shelf computational equipment and low-cost camera, its core algorithm is able to process hundreds of images per second while tracking hundreds of objects with millimeter precision. We propose a mathematical model of the method that allows to calculate its precision, area of coverage, and processing speed from the camera's intrinsic parameters and hardware's processing capacity. The correctness of the presented model and performance of the algorithm in real-world conditions are verified in several experiments. Apart from the method description, we also publish its source code; so, it can be used as an enabling technology for various mobile robotics problems.

Abstract-We present an evaluation of standard image features in the context of long-term visual teach-and-repeat mobile robot navigation, where the environment exhibits significant changes in appearance caused by seasonal weather variations and daily illumination changes. We argue that in the given longterm scenario, the viewpoint, scale and rotation invariance of the standard feature extractors is less important than their robustness to the mid-and long-term environment appearance changes. Therefore, we focus our evaluation on the robustness of image registration to variable lighting and naturally-occuring seasonal changes. We evaluate the image feature extractors on three datasets collected by mobile robots in two different outdoor environments over the course of one year. Based on this analysis, we propose a novel feature descriptor based on a combination of evolutionary algorithms and Binary Robust Independent Elementary Features, that we call GRIEF (Generated BRIEF). In terms of robustness to seasonal changes, the GRIEF feature descriptor outperforms the other ones while being computationally more efficient.

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