By remotely accessing an IBM quantum computer, a research scientist at Lawrence Berkeley National Laboratory has successfully ...

The success of a molecular dynamics simulation depends on the accuracy of the force field used to define the atomic interactions. It is challenging to train both classical and modern machine-learning ...

Accurate predictions of ligand binding affinities would greatly accelerate the first stages of drug discovery campaigns. However, using highly accurate interatomic potentials based on quantum ...

To analyze the impact of various technical details on the results of quantum mechanical (QM)/molecular mechanical (MM) enzyme simulations, including the QM region size, catechol-O-methyltransferase ...

QMsolve seeks to provide a solid and easy to use solver, capable of solving the Schrödinger equation for one and two particles, and creating descriptive and stunning visualizations of its solutions ...

Fiber-optic hydrophones have received extensive research interests due to their advantage in ocean underwater target detection. Here, kernel extreme learning machine (K-ELM) is introduced to source ...

Pool scrubbing is a potential method to remove aerosol particles under accident conditions of nuclear power plants. The relative humidity of aerosol laden gas will increase significantly when passing ...

An acoustic levitation test bench was built to successfully suspend a small ball of a certain density. It was found that the smaller the diameter and density of the suspended sample, the easier it is ...

Until now it has been impractical to observe protein folding in silico for proteins larger than 50 residues. Limitations of both force field accuracy and computational efficiency make the folding ...