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A deformable body can rotate even with no angular momentum, simply by changing its shape. A good example is a falling cat, how it maneuvers in air to land on its feet. Here a first principles molecular level example of the phenomenon is…

Computational Physics · Physics 2020-09-17 Xubiao Peng , Jin Dai , Antti J. Niemi

Although robotic manipulators are used in an ever-growing range of applications, robot manufacturers typically follow a ``one-fits-all'' philosophy, employing identical manipulators in various settings. This often leads to suboptimal…

Robotics · Computer Science 2025-09-17 Jonathan Külz , Sehoon Ha , Matthias Althoff

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

We consider computations of a Turing machine subjected to noise. In every step, the action (the new state and the new content of the observed cell, the direction of the head movement) can differ from that prescribed by the transition…

Computational Complexity · Computer Science 2021-12-07 Ilir Çapuni , Peter Gács

The subject of this paper is the design of a new concept of modular parallel mechanisms for three, four or five-axis machining applications. Most parallel mechanisms are designed for three- or six-axis machining applications. In the last…

Robotics · Computer Science 2007-05-23 Damien Chablat , Philippe Wenger

Spherical robots typically require at least two actuators to achieve controlled 2D planar motion. Here we present Rollbot, the first spherical robot capable of controllably maneuvering on a 2D plane with a single actuator, challenging this…

Robotics · Computer Science 2026-05-13 Jingxian Wang , Michael Rubenstein

Machine learning models of vastly different modalities and architectures are being trained to predict the behavior of molecules, materials, and proteins. However, it remains unclear whether they learn similar internal representations of…

Machine Learning · Computer Science 2025-12-04 Sathya Edamadaka , Soojung Yang , Ju Li , Rafael Gómez-Bombarelli

Torque is ubiquitous in many molecular systems, including collisions, chemical reactions, vibrations, electronic excitations and especially rotor molecules. We present a straightforward theoretical method based on forces acting on atoms and…

Chemical Physics · Physics 2016-11-23 Rui-Qin Zhang , Yan-Ling Zhao , Fei Qi , Klaus Hermann , Michel A. Van Hove

A linkage mechanism consists of rigid bodies assembled by joints which can be used to translate and transfer motion from one form in one place to another. In this paper, we are particularly interested in a family of spacial linkage…

Exactly Solvable and Integrable Systems · Physics 2019-09-30 Shizuo Kaji , Kenji Kajiwara , Hyeongki Park

This paper is about turedos, which are Turing machine whose head can move in the plane (or in a higher-dimensional space) but only in a selfavoiding way, by putting marks (letters) on visited positions and moving only to unmarked, therefore…

Computational Complexity · Computer Science 2022-05-10 Samuel Nalin , Guillaume Theyssier

Knotted molecules occur naturally and are designed by scientists to gain special biological and material properties. Understanding and utilizing knotting require efficient methods to recognize and generate knotted structures, which are…

Computational Physics · Physics 2025-01-23 Zhiyu Zhang , Yongjian Zhu , Liang Dai

Mechanical learning is a computing system that is based on a set of simple and fixed rules, and can learn from incoming data. A learning machine is a system that realizes mechanical learning. Importantly, we emphasis that it is based on a…

Artificial Intelligence · Computer Science 2016-02-02 Chuyu Xiong

Statistical learning methods show great promise in providing an accurate prediction of materials and molecular properties, while minimizing the need for computationally demanding electronic structure calculations. The accuracy and…

Materials Science · Physics 2018-01-24 Andrea Grisafi , David M. Wilkins , Gábor Csányi , Michele Ceriotti

During our previous modeling using all-atom molecular dynamics, we have identified several foldamers whose nanoscale behavior resembles that of classic bistable machines, namely the Euler archs and Duffing oscillators. However, time…

Mesoscale and Nanoscale Physics · Physics 2026-01-13 Alexander D. Muratov , Vladik A. Avetisov

Using tools from topology and functional analysis, we provide a framework where artificial neural networks, and their architectures, can be formally described. We define the notion of machine in a general topological context and show how…

Machine Learning · Computer Science 2022-11-30 Pietro Vertechi , Mattia G. Bergomi

What does it take to build mobile manipulation systems that can competently operate on previously unseen objects in previously unseen environments? This work answers this question using opening of articulated structures as a mobile…

Robotics · Computer Science 2025-05-08 Arjun Gupta , Michelle Zhang , Rishik Sathua , Saurabh Gupta

Mobile manipulator throwing is a promising method to increase the flexibility and efficiency of dynamic manipulation in factories. Its major challenge is to efficiently plan a feasible throw under a wide set of task specifications. We show…

Robotics · Computer Science 2022-08-05 Yang Liu , Aradhana Nayak , Aude Billard

In this paper, we focus on generating complex robotic trajectories by merging sequential motion primitives. A robotic trajectory is a time series of positions and orientations ending at a desired target. Hence, we first discuss the…

Robotics · Computer Science 2020-03-26 Matteo Saveriano , Felix Franzel , Dongheui Lee

Protein folding is the intricate process by which a linear sequence of amino acids self-assembles into a unique three-dimensional structure. Protein folding kinetics is the study of pathways and time-dependent mechanisms a protein undergoes…

Machine Learning · Computer Science 2023-09-19 Vijay Arvind. R , Haribharathi Sivakumar , Brindha. R

This paper considers the problem of manipulating a uniformly rotating chain: the chain is rotated at a constant angular speed around a fixed axis using a robotic manipulator. Manipulation is quasi-static in the sense that transitions are…

Robotics · Computer Science 2017-09-06 Hung Pham , Quang-Cuong Pham