相关实验视频

Updated: Jan 9, 2026

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
05:37

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

579

机器学习中远程静电学的通用增强框架 原子间潜力

Dongjin Kim1, Xiaoyu Wang1, Santiago Vargas2

  • 1Department of Chemistry, University of California, Berkeley, California 94720, United States.

Journal of chemical theory and computation
|December 10, 2025
PubMed
概括

这项研究介绍了潜伏埃瓦尔德总和 (LES) 方法,这是一种新工具,它为机器学习的原子间潜力 (MLIP) 添加了远程静电相互作用. 通过从能量和力数据中学习静电学,LES提高了包括生物分子在内的各种系统的准确性.

更多相关视频

Finite Element Modelling of a Cellular Electric Microenvironment08:23

Finite Element Modelling of a Cellular Electric Microenvironment

Published on: May 18, 2021

3.9K
Augmenting Large Language Models via Vector Embeddings to Improve Domain-Specific Responsiveness03:14

Augmenting Large Language Models via Vector Embeddings to Improve Domain-Specific Responsiveness

Published on: December 6, 2024

986

相关概念视频

Electrostatic Boundary Conditions in Dielectrics01:27

Electrostatic Boundary Conditions in Dielectrics

When an electric field passes from one homogeneous medium to another, crossing the boundary between the two mediums imparts a discontinuity in the electric field. This results in electrostatic boundary conditions that depend on the type of mediums the field propagates through.
Consider a case where both the mediums across a boundary are two different dielectric materials. Recall that the electric field and electric displacement are proportional and related through the material's permittivity....
1.8K
Calculations of Electric Potential II01:27

Calculations of Electric Potential II

An electric dipole is a system of two equal but opposite charges, separated by a fixed distance. This system is used to model many real-world systems, including atomic and molecular interactions. One of these systems is the water molecule, but only under certain circumstances. These circumstances are met inside a microwave oven, where electric fields with alternating directions make the water molecules change orientation. This vibration is equivalent to heat at the molecular level.
Consider a...
2.2K
Comparison Between Electrical And Gravitational Forces01:24

Comparison Between Electrical And Gravitational Forces

There are four fundamental forces in nature: the gravitational force, the electromagnetic force, the strong nuclear force, and the weak nuclear force. To compare the numerical strengths of the first two, take two particles of the same kind. Since electrons are fundamental particles, they are a good example.
Since both are inverse square law forces, the distance gets canceled when the ratio of the two forces is considered. Instead, the ratio of the electrical and gravitational forces depends on...
3.9K
Electrostatic Boundary Conditions01:16

Electrostatic Boundary Conditions

Consider an external electric field propagating through a homogeneous medium. When the electric field crosses the surface boundary of the medium, it undergoes a discontinuity. The electric field can be resolved into normal and tangential components. The amount by which the field changes at any boundary is given by the difference between the field components above and below the surface boundary.
The surface integral of an electric field is given by Gauss's law in integral form and is related to...
899
Coulomb's Law and The Principle of Superposition01:15

Coulomb's Law and The Principle of Superposition

Coulomb's Law describes the force experienced by two point charges under each other's presence. But what if there are more than two charges? For example, if there is a third charge, does it experience a force that is a simple combination of the individual forces due to the first two charges? Can it be described mathematically?
The Principle of Superposition answers the question. Yes, Coulomb's Law applies to each pair of charges, and the net force on each charge is the vector sum of...
10.7K
Potential Due to a Polarized Object01:29

Potential Due to a Polarized Object

A neutral atom consists of a positively charged nucleus surrounded by a negatively charged electron cloud. When placed in an external electric field, the external electric force pulls the electrons and nucleus apart, opposite to the intrinsic attraction between the nucleus and the electrons. The opposing forces balance each other with a slight shift between the center of masses of the nucleus and the electron cloud, resulting in a polarized atom. On the other hand, a few molecules, like water,...
702