AZoM

Materials Intelligence Will Turn on the Engine of Beauty R&D

Materials intelligence in cosmetics integrates AI and molecular simulation, enhancing formulation efficiency and aligning with sustainability goals.

Establishing a new QM/MM design principle based on electronic-state responses

The approach enables objective and automatic determination of the quantum-mechanical region based on electronic-state changes ...
Hosted on MSN

GlowScript VPython tutorial | Dipole electric field simulation

In this tutorial, we use GlowScript VPython to build a dipole electric field simulation step by step. Learn how to model charges, compute field vectors, and create an interactive visualization that ...
SiliconANGLE

Google demonstrates verifiable quantum simulation that reveals molecular shapes

Google LLC’s quantum division today released research showing that its Willow quantum chip can provide elegant and accurate simulations about the physical properties of molecules much faster than ...
C&EN

Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Non-Commercial (NC): Only non-commercial uses of the work are permitted. A complete ...
C&EN

Molecular Dynamics Simulation Study of Polyvinylpyrrolidone as a Kinetic Inhibitor for Natural Gas Hydrates under Ultradeepwater Conditions

State Key Laboratory of Unconventional Oil & Gas Development, China University of Petroleum (East China), Ministry of Education, Qingdao 266580, China School of Petroleum Engineering, China University ...
Frontiers

Molecular simulations of cavitation bubble dynamics

PoreLab, The Njord Centre, Department of Physics, University of Oslo, Oslo, Norway We study the cavitation bubble that forms as a nano-scale spherical surface is detached from a flat surface using ...
Phys.org

New AI tool models protein dynamics, aiding drug discovery and protein research

A major scientific advance in protein modeling developed by Microsoft Research AI for Science, has been published in Science. The study introduces BioEmu, a generative deep learning system that ...
Frontiers

Structure-based molecular screening and dynamic simulation of phytocompounds targeting VEGFR-2: a novel therapeutic approach for papillary thyroid carcinoma

1 Department of General Surgery, Xinqiao Hospital, The Army Medical University, Chongqing, China 2 Department of Hematology-Oncology, Chongqing University Cancer Hospital, Chongqing, China Papillary ...
Scientific American

Single Atom Acts as a Quantum Computer and Simulates Molecules

A single atom has performed the first full quantum simulations of how certain molecules react to light. The researchers who carried out the feat say that their minimalistic approach could dramatically ...
Hosted on MSN

Gemini 2.5 Code particle simulations with dynamic motion

See how Gemini 2.5 Pro Experimental uses its reasoning capabilities to create an interactive simulation of a reflection nebula. FBI warns of 3-phase scam that is draining bank accounts “Christmas ...