我们现在可以从第一原理计算，所有这些东西。
And you've seen now we can actually calculate all that from first principles.
本文介绍一种新的并行化第一原理分子动力学程序。
A new paralleled first-principle program has been introduced in this paper.
结合第一原理计算的相应结果，对上述现象进行讨论。
The discussion was made about the above phenomenon based on related results derived from the first-principles calculation.
这就是说，我们可以计,算普通化学反应的平衡常数,从第一原理。
So what it means is, we can calculate equilibrium constants for ordinary chemical reactions just from first principles.
不过，一个人特别论证不等边三角形或等边三角形，是从必然非第一原理论证。
However, one who demonstrates this for scalene or equilateral triangles does so from principles that are necessarily not first principles.
本文提出一种将第一原理与启发式知识有机结合的模型，并给出了相应的算法。
This paper provides a model using both the deep and shallow knowledges, and presents some algorithms.
这也是可以用标准办法测出来的，我们简单地用第一原理方法，我们就可以算出，转变温度了。
Also something that's pretty routinely measured, we're done. So again, from a very simple first principles approach, we can calculate that phase transition temperature.
朱子学的第一原理是确立“理”的本体地位，作为现实世界的存在依据和价值真原。
The first principle in Zhu Zi's theory is to establish the noumenal status of Li, which is regarded as the basis of real world and source of value.
所有计算都是基于密度泛函理论(DFT)框架下的第一原理平面波超软赝势方法。
It was performed by adopting the first-principles calculation of plane wave ultra-soft pseudo-potential technology of based upon the Density Function Theory (DFT).
并用第一原理应力计算方法对单晶硅纳米切削过程中的脆塑转变的可行性进行了研究。
Moreover, the feasibility of brittle-ductile transition of monocrystalline Silion is studied with the method of first principle stress.
并用第一原理应力计算方法对单晶硅纳米切削过程中的脆塑转变的可行性进行了研究。
In this paper, the mechanism of brittle-ductile transition of glass-ceramics at different low temperatures was studied.
使用基于密度泛函理论的第一原理平面波赝势法，研究了W原子链的结构稳定性和电子结构性质。
The structural stabilities and electronic structures of W atomic chains are studied by employing first-principles plane wave pseudopotential method based on the density functional theory.
利用第一原理密度泛函理论计算组装C60形成能和电子结构，用半经典隧穿理论研究了串联C60的电子输运特性。
The formation energy and electronic structures of the series-connected C60 molecule are calculated by the ab initio density–functional theory.
该方法不是从第一原理出发，因为耗散环境应该被看成是自由度为无限维的谐振子或原子系统，对它的求解最好的方式是求解约化密度矩阵方程。
This method is not from the first principle. A better approach is based on the reduced density matrix, which eliminate the infinite number of the freedoms of the dissipative environment.
Craig Venter Institute试图运用第一原理，打造一个现有的有机体时，其他人则在尝试不同于任何自然生物的人造生物学实验。
Craig Venter Institute outside Washington DC are aiming to build an existing organism from first principles, others are experimenting with artificial biology unlike anything in nature.
概率论第一个基本原理中的一条是事件的独立性。
One of the first principles of probability is the idea of independence.
一个模块化框架的第一个基本原理是，努力尝试在一个时间关注于一个逻辑功能块，也称作为抽象。
The first principle of a modularity framework is to attempt to try to focus on one logical piece of functionality at a time, also known as abstraction.
1913年，丹麦物理学家尼尔斯·波尔第一个提出基于量子原理的原子理论。
In 1913, the Danish physicist Niels Bohr was the first to propose a theory of the atom based on quantum principles.
公认是正确的，但我想让各位理解一点,它并不明显,甚至第一性原理,没法证明。
We think so, but I want you to appreciate that it is not obvious and it can not be proven from first principles.
其工作原理如下：用户第一次访问某个站点时，就会安装一个追踪文件，该文件给计算机分配一个唯一性的ID号。
They work like this: The first time a site is visited, it installs a tracking file, which assigns the computer a unique ID number.
这第一个例外,你需要用奥弗堡原理。
So this is the first exception that you need to the Aufbau principle.
第一条原理在该标准中是通过将语义描述与所有的SOA资源联系起来得以实现的。
The first principle is implemented in standard by associating semantic descriptions with all SOA resources.
基于这个原理，IBM的物理学家们于1993年研制出了世界上第一台磁共振力显微镜(MRFM)。
IBM physicists built the first microscope based on that approach, dubbed magnetic resonance force microscopy (MRFM), in 1993.
从第一性原理，就是基于前面学过的统计数学。
From first principles, just based on the statistical math we've seen so far.
来看一下，第一个和第二个说明，我并不需要证明，因为第一个叙述的是一般原理，但我没有给出一个严格的数学证明。
Let's see. The first and the second claims, I don't really need to justify because the first one is just stating some general principle, but I am not making a precise mathematical claim.
可放在马路旁、火车站或酒吧内的第一批音乐贩卖机，将于本周内揭开面纱。音乐贩卖机和普通的食品自动售货机原理一样，只不过它提供给人们的是好听的音乐而已。
The first music vending machines that will allow people to buy and download songs in the street, at railway stations or in the pub are to be unveiled this week.
可放在马路旁、火车站或酒吧内的第一批音乐贩卖机，将于本周内揭开面纱。音乐贩卖机和普通的食品自动售货机原理一样，只不过它提供给人们的是好听的音乐而已。
The first music vending machines that will allow people to buy and download songs in the street, at railway stations or in the pub are to be unveiled this week.
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