Sentence examples for accurate potentials from inspiring English sources

Machine-learning techniques can provide accurate potentials that can match the quality of electronic structure calculations, provided sufficient training data.

These results indicate the importance of accurate potential energy surfaces for fully understanding photochemical reactions.

The adverse effects of solution resistance are investigated quantitatively, and it is shown that the described configuration allows for high current experiments while maintaining accurate potential measurement.

Three-dimensional electrostatic weighting field configuration in a typical Resistive Plate Chamber RPCC) has been studied with the neBEM solver which evaluates accurate potential and field distributions in a given chamber following Boundary Element Method (BEM).

More importantly, the half-cell was proved to be ideal for the EIS study of DMFC electrodes because the system not only facilitates an accurate potential control but also reflects the actual mass transport process that occurs in practical DMFCs.

There are two key requirements for reliably simulating enzyme reactions: one is a reasonably accurate potential energy surface to describe the bond-forming/breaking process as well as to adequately model the heterogeneous enzyme environment; the other is to perform extensive sampling since an enzyme system consists of at least thousands of atoms and its energy landscape is very complex.

Though most accurate potential for modeling copper is embedded atom method (EAM) potential as it can also take care of metallic bonding, but in our present study L-J potential was used to reduce the computational time.

Incorporating the relevant distance variables in the spatially explicit modelling of bat foraging habitat should result in a clearer interpretation of the importance of the various factors that influence habitat suitability, and in more accurate potential suitability maps.

Therefore, the results approved our original hypothesis that combining these two kinds of information could help to construct a more accurate potential cell cycle related gene set.

Further development is likely associated with more consistent and accurate accounting of solvent, with more regular global minimum search and nearby local minima search, with more accurate potential energy calculations: using quantum chemical methods or other alternative to MMFF94 force field, and with accounting the mobility of atoms in the protein active site.

To obtain accurate flatband potentials, the selection of a suitable potential window for extrapolation from the Mott-Schottky plots is crucial.