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Automated laboratories hold the promise of accelerating scientific discovery, yet their deployment is bottlenecked by the difficulty of designing safe and executable environments. While simulator-based design offers scalability, existing 3D…
Endovascular technique has many advantages but relies strongly on operator skills and experience. Robotically steerable catheters have been developed but few are clinically available. We describe here the development of an active and…
The determination of potentials of mean force for solute insertion in a membrane by means of all-atom molecular dynamics simulations is often hampered by sampling issues. A multiscale approach to conformational sampling was recently…
Since performance improvements of computers are stagnating, new technologies and computer paradigms are hot research topics. Memristor-based In-Memory Computing is one of the promising candidates for the post-CMOS era, which comes in many…
Application of soft and compliant joints in grasping mechanisms received an increasing attention during recent years. This article suggests the design and development of a novel bio-inspired compliant finger which is composed of a 3D…
Proteins in complex with small molecule ligands represent the core of structure-based drug discovery. However, three-dimensional representations are absent from most deep-learning-based generative models. We here present a graph-based…
Hardware verification is one of the most challenging stages of the hardware design process, requiring significant time and resources to ensure a design is fully validated and production-ready. Verification teams aim to maximize design…
In this paper, a new behavioral biometric password based on haptic interaction is described. This "haptic password" system is built on a device that has a force-sensitive screen. The user authentication process leverages maximal overlap…
Traditional robotic manipulator design methods require extensive, time-consuming, and manual trial and error to produce a viable design. During this process, engineers often spend their time redesigning or reshaping components as they…
Structure-based protein design has attracted increasing interest, with numerous methods being introduced in recent years. However, a universally accepted method for evaluation has not been established, since the wet-lab validation can be…
The viability of a new drug molecule is a time and resource intensive task that makes computer-aided assessments a vital approach to rapid drug discovery. Here we develop a machine learning algorithm, iMiner, that generates novel inhibitor…
Synthetic polymeric materials underpin fundamental technologies in the energy, electronics, consumer goods, and medical sectors, yet their development still suffers from prolonged design timelines. Although polymer informatics tools have…
Monte Carlo (MC) simulations have been carried out to study the adsorption on square and triangular lattices of particles with two bonding sites that, by decreasing temperature or increasing density, polymerize reversibly into chains with a…
The Hubbard model is one of the primary models for understanding the essential many-body physics in condensed matter systems such as Mott insulators and cuprate high-Tc superconductors. Recent advances in atomically precise fabrication in…
We develop a tight-binding model based on linear combination of atomic orbitals (LCAO) methods to describe the electronic structure of arrays of acceptors, where the underlying basis states are derived from an effective-mass-theory solution…
Soft robotic grasping has rapidly spread through the academic robotics community in recent years and pushed into industrial applications. At the same time, multimaterial 3D printing has become widely available, enabling the monolithic…
Physics-based simulation is essential for developing and evaluating robot manipulation policies, particularly in scenarios involving deformable objects and complex contact interactions. However, existing simulators often struggle to balance…
Affine Body Dynamics (ABD) within the Incremental Potential Contact (IPC) framework provides accurate simulation of extremely stiff solids exhibiting near-rigid behavior, with strict non-penetration guarantees. However, IPC's globally…
We study bitstring measurements from the publicly available Aquila Rydberg-atom platform using a two-leg ladder that encodes a truncated lattice gauge model as a practical benchmark that can be directly implemented and simulated on current…
Assembly/Disassembly (A/D) simulations using haptic devices are facing difficulties while simulating insertion/extraction operations such as removing cylinders from holes. In order to address this configuration as well as others, an…