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Machine learning techniques have found their way into computational chemistry as indispensable tools to accelerate atomistic simulations and materials design. In addition, machine learning approaches hold the potential to boost the…

Chemical Physics · Physics 2025-10-03 Johannes Voss

Machine Learning tools are nowadays widely applied extensively to the prediction of the properties of molecular materials, using datasets extracted from high-throughput computational models. In several cases of scientific and technological…

Materials Science · Physics 2021-02-10 Fabio Le Piane , Matteo Baldoni , Francesco Mercuri

The biomolecules in and around a living cell -- proteins, nucleic acids, lipids, carbohydrates -- continuously sample myriad conformational states that are thermally accessible at physiological temperatures. Simultaneously, a given…

Biomolecules · Quantitative Biology 2014-07-15 Cameron Mura , Charles E. McAnany

We report a case study where an existing materials science course was modified to include numerical simulation projects on the micromagnetic behavior of materials. The Ubermag micromagnetic simulation software package is used in order to…

Molecular dynamics (MD) simulations enable the description of ma- terial properties and processes with atomistic detail by numerically solv- ing the time evolution of every atom in the system. We introduce Poly- merModeler, a…

Materials Science · Physics 2015-03-16 Benjamin P. Haley , Chunyu Li , Nathaniel Wilson , Eugenio Jaramillo , Alejandro Strachan

The Institute for Solid State Physics (ISSP) at The University of Tokyo has been carrying out a software development project named ``the Project for Advancement of Software Usability in Materials Science (PASUMS)". Since the launch of…

Software Engineering · Computer Science 2025-05-27 Kazuyoshi Yoshimi , Yuichi Motoyama , Tatsumi Aoyama , Mitsuaki Kawamura , Naoki Kawashima

Microfluidic devices have been the subject of considerable attention in recent years. The development of novel microfluidic devices, their evaluation, and their validation requires simulations. While common methods based on Computational…

Fluid Dynamics · Physics 2024-11-05 Maria Emmerich , Florina Costamoling , Robert Wille

Molecular Dynamics simulations are becoming a powerful tool for examining and predicting atomic and molecular processes in various environment. The present review shows how, in the fields of plasma physics, chemistry and interactions with…

Plasma Physics · Physics 2023-12-14 Pascal Brault

Modern physics is now a regular course for non-physics majors who do not have to take the accompanying laboratory. This lack of an experimental component puts the engineering students at a disadvantage. A possible solution is the use of…

Physics Education · Physics 2018-11-26 Jorge A. López , Milijana Suskavcevic , Carlos Velasco

The focus of the study is to develop a 3D engine assembly simulation learning module to address the lack of equipment in one senior high school in the Philippines. The study used mixed-method to determine the considerations needed in…

In this article, we have proposed an educational learning material model using 360-degree environment on web-based platform by personalizing the learning environment as per user surf the web. Virtual Machinery Workshop allow an illusionary…

Computers and Society · Computer Science 2019-05-01 Prayitno , Anwar Sukito Ardjo , Liliek Triyono , Bambang Kuswanto

Advances in large language models (LLMs) enable many new innovations in education. However, evaluating the effectiveness of new technology requires real students, which is time-consuming and hard to scale up. Therefore, many recent works on…

Computation and Language · Computer Science 2026-05-06 Alexander Scarlatos , Jaewook Lee , Simon Woodhead , Andrew Lan

Real-life control tasks involve matters of various substances---rigid or soft bodies, liquid, gas---each with distinct physical behaviors. This poses challenges to traditional rigid-body physics engines. Particle-based simulators have been…

Machine Learning · Computer Science 2019-04-19 Yunzhu Li , Jiajun Wu , Russ Tedrake , Joshua B. Tenenbaum , Antonio Torralba

Incorporating accurate physics-based simulation into interactive design tools is challenging. However, adding the physics accurately becomes crucial to several emerging technologies. For example, in virtual/augmented reality (VR/AR) videos,…

Human-Computer Interaction · Computer Science 2017-12-05 Dingzeyu Li

The understanding of the nanoscale physical properties of biomolecules and biomaterials will ultimately promote the research in the biological sciences. In this review, we focused on theory, simulation, and experiments involving nanoscale…

Biological Physics · Physics 2007-08-02 Melik Demirel , Atul Parikh , Vincent Crespi , Scott Reed

In recent years, there is a growing need and opportunity to use online platforms for psychophysics research. Online experiments make it possible to evaluate large and diverse populations remotely and quickly, complementing laboratory-based…

Neurons and Cognition · Quantitative Biology 2025-05-30 Yuval Samoilov-Kats , Matan Noach , Noam Beer , Yuval Efrati , Adam Zaidel

Driven by the unprecedented computational power available to scientific research, the use of computers in solid-state physics, chemistry and materials science has been on a continuous rise. This review focuses on the software used for the…

Materials Science · Physics 2021-11-01 Leopold Talirz , Luca M. Ghiringhelli , Berend Smit

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

High-throughput computational and experimental design of materials aided by machine learning have become an increasingly important field in material science. This area of research has emerged in leaps and bounds in the thermal sciences, in…

Materials Science · Physics 2019-06-17 Hang Zhang , Kedar Hippalgaonkar , Tonio Buonassisi , Ole M. Løvvik , Espen Sagvolden , Ding Ding

Student simulation supports educators to improve teaching by interacting with virtual students. However, most existing approaches ignore the modulation effects of course materials because of two challenges: the lack of datasets with…

Human-Computer Interaction · Computer Science 2025-02-06 Songlin Xu , Hao-Ning Wen , Hongyi Pan , Dallas Dominguez , Dongyin Hu , Xinyu Zhang