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Automating experimental protocol design and execution remains as a fundamental bottleneck in realizing self-driving laboratories. We introduce PRISM (Protocol Refinement through Intelligent Simulation Modeling), a framework that automates…

The climate crisis demands a rapid shift to sustainable energy technologies and higher efficiency in existing energy systems. Adsorption-based thermochemical energy storage is a promising alternative due to its high energy density and…

Materials Science · Physics 2026-05-21 H. Lucassen , A. Luna-Triguero , J. M. Vicent-Luna

The emergence of self-replication and information transmission in life's origin remains unexplained despite extensive research on the topic. A hypothesis explaining the transition from a simple organic world to a complex RNA world is…

Biomolecules · Quantitative Biology 2013-05-27 Stan Palasek

A model of a multilayer device with non-trivial geometrical structure and nonlinear dependencies of thermodynamic material properties at cryogenic temperatures is suggested. A considered device, called cryogenic cell, is intended for use in…

Computational Physics · Physics 2015-11-20 Alexander Ayriyan , Jan Busa , Eugeny E. Donets , Hovik Grigorian , Jan Pribis

In a lot of scientific problems, there is the need to generate data through the running of an extensive number of experiments. Further, some tasks require constant human intervention. We consider the problem of crack detection in steel…

Computer Vision and Pattern Recognition · Computer Science 2024-12-24 Chinmay Makarand Pimpalkhare , D. N. Pawaskar

Molecular motor proteins form the basis of cellular dynamics. Recently, notable efforts have led to the creation of their DNA-based mimics, which can carry out complex nanoscale motion. However, such functional analogues have not yet been…

Biological Physics · Physics 2021-05-14 Kerstin Goepfrich , Maximilian J. Urban , Christoph Frey , Ilia Platzman , Joachim P. Spatz , Na Liu

Nanorobots are a promising development in targeted drug delivery and the treatment of neurological disorders, with potential for crossing the blood-brain barrier (BBB). These small devices leverage advancements in nanotechnology and…

Robotics · Computer Science 2024-11-05 Shahab Kavousinejad

The efficient and economical exploitation of polymers with high thermal conductivity is essential to solve the issue of heat dissipation in organic devices. Currently, the experimental preparation of functional thermal conductivity polymers…

Materials Science · Physics 2024-02-16 Xiang Huang , Shengluo Ma , C. Y. Zhao , Hong Wang , Shenghong Ju

Based on a thermodynamic analysis of the kinetic model for the protein phosphorylation-dephosphorylation cycle, we study the ATP (or GTP) energy utilization of this ubiquitous biological signal transduction process. It is shown that the…

Biological Physics · Physics 2007-05-23 Hong Qian

Optimal operation of chemical processes is vital for energy, resource, and cost savings in chemical engineering. The problem of optimal operation can be tackled with reinforcement learning, but traditional reinforcement learning methods…

Machine Learning · Computer Science 2025-11-21 Dean Brandner , Sergio Lucia

De novo protein structure prediction from amino acid sequence is one of the most challenging problems in computational biology. As one of the extensively explored mathematical models for protein folding, Hydrophobic-Polar (HP) model enables…

Machine Learning · Computer Science 2018-12-06 Yanjun Li , Hengtong Kang , Ketian Ye , Shuyu Yin , Xiaolin Li

This work presents a novel framework governing the development of an efficient, accurate, and transferable coarse-grained (CG) model of a polyether material. The proposed framework combines the two fundamentally different classical…

We report the design and performance of a cryogen-free, pulse-tube refrigerator (PTR)-based scanning probe microscopy (SPM) system capable of operating at the base temperature of near 5K. We achieve this by combining a home-made interface…

Materials Science · Physics 2022-04-29 Jun Kasai , Tomoki Koyama , Munenori Yokota , Katsuya Iwaya

In nature, biological organisms jointly evolve both their morphology and their neurological capabilities to improve their chances for survival. Consequently, task information is encoded in both their brains and their bodies. In robotics,…

Robotics · Computer Science 2020-06-15 Ana Pervan , Todd D. Murphey

Temperature is a fundamental regulator of chemical and biochemical kinetics, yet capturing nonlinear thermal effects directly from experimental data remains a major challenge due to limited throughput and model flexibility. Recent advances…

Quantitative Methods · Quantitative Biology 2025-12-23 Mamoru Saita , Yutaka Hori

This paper presents a systematic approach to the advanced control of continuous crystallization processes using model predictive control. We provide a tutorial introduction to controlling complex particle size distributions by integrating…

Systems and Control · Electrical Eng. & Systems 2026-02-04 Collin R. Johnson , Kerstin Wohlgemuth , Sergio Lucia

This work introduces an approach rooted in quantum thermodynamics to enhance sampling efficiency in quantum machine learning (QML). We propose conceptualizing quantum supervised learning as a thermodynamic cooling process. Building on this…

Quantum Physics · Physics 2025-01-07 Nayeli A. Rodríguez-Briones , Daniel K. Park

Optimization of cyclic stochastic heat engines, a topic spanning decades of research, commonly assumes fixed control or response parameters at discrete points in the cycle-a limitation that often leads to experimentally impractical…

Statistical Mechanics · Physics 2025-07-02 Monojit Chatterjee , Viktor Holubec , Rahul Marathe

Scanning transmission electron microscopy is a common tool used to study the atomic structure of materials. It is an inherently multimodal tool allowing for the simultaneous acquisition of multiple information channels. Despite its…

Polymer composite materials require softening to reduce their glass transition temperature and improve processability. To this end, plasticizers, which are small organic molecules, are added to the polymer matrix. The miscibility of these…