,,.

Mikołaj Martyka1, Lina Zhang2, Fuchun Ge2

  • 1University of Warsaw, Faculty of Chemistry, 02-093 Warsaw, Poland.

npj computational materials
|May 16, 2025
PubMed
概括

我们开发了一种新的机器学习 (ML) 协议,用于负担得起的电子状态学习,以加快分子模拟. 这种方法提高了激发状态模拟的准确性,并改善了基本状态预测.

相关概念视频

State Space Representation01:27

State Space Representation

The frequency-domain technique, commonly used in analyzing and designing feedback control systems, is effective for linear, time-invariant systems. However, it falls short when dealing with nonlinear, time-varying, and multiple-input multiple-output systems. The time-domain or state-space approach addresses these limitations by utilizing state variables to construct simultaneous, first-order differential equations, known as state equations, for an nth-order system.
Consider an RLC circuit, a...
154
Long-term Potentiation01:35

Long-term Potentiation

Long-term potentiation, or LTP, is one of the ways by which synaptic plasticity—changes in the strength of chemical synapses—can occur in the brain. LTP is the process of synaptic strengthening that occurs over time between pre- and postsynaptic neuronal connections. The synaptic strengthening of LTP works in opposition to the synaptic weakening of long-term depression (LTD) and together are the main mechanisms that underlie learning and memory.
54.5K
Cooperative Allosteric Transitions01:58

Cooperative Allosteric Transitions

2.3K
Integration of Synaptic Events01:28

Integration of Synaptic Events

Synaptic integration mainly includes the summation of graded potentials. Graded potentials, regardless of their type, cause subtle alterations in membrane voltage, resulting in either depolarization or hyperpolarization. These incremental changes, when combined or summed, can propel the neuron toward its threshold. Consider, for example, a membrane experiencing a +15 mV shift, causing it to depolarize from -70 mV to -55 mV. In this scenario, graded potentials govern the membrane's ability...
1.4K