Atomistic simulation software CP2K enables AI models

The CP2K open-source package is among the top three most widely used research software suites worldwide for simulating the ...

Simulations predict antibody drug viscosity, paving way for easier self-injection

Monoclonal antibodies (mAbs) aid the body against autoimmune diseases and cancer, among other things. Patients have to pick ...

Boston Dynamics is training an AI-powered humanoid robot to do factory work

While it's not ready to join the workforce yet, Atlas, an AI-powered humanoid, is learning how to do human tasks.
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 ...
IEEE

Acceleration of Power System Dynamic Simulations Using a Deep Equilibrium Layer and Neural ODE Surrogate

Abstract: The dominant paradigm for power system dynamic simulation is to build system-level simulations by combining physics-based models of individual components. The sheer size of the system along ...
Frontiers

Molecular dynamics simulation on the heat transfer at liquid-solid interfaces and enhancement mechanism

1 Department of Mechanical and Electrical Engineering, University of Shaoxing, Shaoxing, China 2 School of Energy and Power Engineering, Northeast Electric Power University, Jilin, China There has ...
Semiconductor Engineering

Modeling and Simulation of NVM Technologies: Tutorial (TU Dormand, TU Dresden, KIT, FAU)

A new technical paper titled “Modeling and Simulating Emerging Memory Technologies: A Tutorial” was published by researchers at TU Dortmund, TU Dresden, Karlsruhe Institute of Technology (KIT) and FAU ...
Scientific Research Publishing

Treiber, M. and Kesting, A. (2013) Traffic Flow Dynamics: Data, Models and Simulation. Springer.

ABSTRACT: Road traffic flow forecasting provides critical information for the operational management of road mobility challenges, and models are used to generate the forecast. This paper uses a random ...
eLife

Molecular dynamics simulations illuminate the role of sequence context in the ELF3-PrD-based temperature sensing mechanism in plants

In this potentially valuable computational study, the authors conducted atomistic and coarse-grained simulations to probe the temperature-dependent phase behaviors of ELF3, a disordered component of ...