| 查看: 2798 | 回复: 14 | ||||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | ||||
[交流]
Anharmonic Phonons
|
||||
|
anharmonic phonons phq: temperature dependent phonon quasiparticle dispersions of complex crystals from first principles. (https://github.com/mineralscloud/phq) sscha: the stochastic self-consistent harmonic approximation: calculating vibrational properties of materials with full quantum and anharmonic effects. (https://sscha.eu/) csld: a comprehensive package to study lattice dynamics from first-principles. the interatomic force constants were fitted using the compressive sensing algorithm. (https://github.com/llnl/csld) aflow-aapl: automation of phonon calculations and thermal conductivity. (https://www.nature.com/articles/s41524-017-0046-7) alamode: high-order force constants and self-consistent phonons. (https://alamode.readthedocs.io/) almabte: boltzmann transport for device level simulations. (https://almabte.bitbucket.io/) dynaphopy: anharmonic phonons from molecular dynamics simulations. (https://abelcarreras.github.io/dynaphopy/index.html) d3q: 3-phonon processes and stochastic self-consistent phonons using random displacements. (https://anharmonic.github.io/) phono3py: 3-phonon processesand thermal conductivity from finite-displacements. (https://phonopy.github.io/phono3py/) scalid: self-consistent phonon approach, but no longer developed and fails for optic modes. (https://www.uquantchem.com/scaild.html) shengbte: 3-phonon processes and thermal conductivity from finite-displacements. (https://www.shengbte.org/) tdep: effective hamiltonian approach for anharmonic systems from molecular dynamics simulations. (https://ollehellman.github.io/) openbte: an open source, parallel solver based on the phonon mean-free-path dependent boltzmann transport equation and heat diffusion equation, and it is interfaced to the most popular first-principles thermal conductivity solvers. (https://openbte.readthedocs.io/) hiphive: hiphive is a tool for efficiently extracting high-order force constants from atomistic simulations, most commonly density functional theory calculations. it has been implemented in the form of a python library, which allows it to be readily integrated with many first-principles codes and analysis tools accessible in python. (https://hiphive.materialsmodeling.org/) phonts: phonts is a lattice dynamics code that calculates thermal conductivity via the solution of the boltzmann transport equation (bte) for phonons. kaldo：kaldo is a modern python-based software that implements both the boltzmann transport equation (bte) and the quasi-harmonic green kubo (qhgk) method, which runs on gpus and cpus using tensorflow. more details can be found on the kaldo website （https://github.com/nanotheorygroup/kaldo） fourphonon：an extension module to shengbte for computing four-phonon scattering rates and thermal conductivity. (https://github.com/fourphonon） [ Last edited by 漫天飘雪 on 2021-5-6 at 10:37 ] |
回复此楼» 收录本帖的淘帖专辑推荐
 phonon |
» 猜你喜欢
职称评审没过，求安慰
已经有49人回复
-
26申博自荐
已经有3人回复
-
A期刊撤稿
已经有4人回复
-
垃圾破二本职称评审标准
已经有17人回复
-
投稿Elsevier的Neoplasia杂志，到最后选publishing options时页面空白，不能完成投稿
已经有22人回复
-
EST投稿状态问题
已经有7人回复
-
毕业后当辅导员了，天天各种学生超烦
已经有4人回复
-
三无产品还有机会吗
已经有6人回复
» 抢金币啦！回帖就可以得到:
-
深圳市人民医院活性天然产物研究方向诚招联合培养硕士生2-3
+1/287
-
虚位以待，共探前沿：热烈欢迎报考北京工业大学纳米多孔材料课题组2026级博士研究生
+1/267
-
祝福---好运连连---连连---
+4/264
-
Analytical Science Advances（Wiley出版社）长期征稿中...
+1/98
-
天津大学化学系吴立朋课题组申请考核制博士招生/博后招聘
+1/84
-
中国科学院山西煤炭化学研究所水污染防治与资源化利用方向招本科/硕士线上实习生
+1/78
-
中科院深圳先进院成会明院士\唐永炳国家杰青团队招聘
+2/78
-
Analytical Science Advances（Wiley出版社）长期征稿中...
+1/48
-
限广州，征女友
+2/44
-
高端材料科研产品技术顾问-顶尖材料公司诚邀广大科研背景同学加入！
+1/36
-
哈工大深圳校区 博士招生 燃料电池/电解制氢
+1/29
-
湖南师范大学杨亚辉/江浩团队招收电催化方向2026年博士生1名
+1/27
-
复旦大学彭慧胜院士团队 | 招聘有机合成方向博士后、博士生及科研助理
+1/23
-
SCI计算机相关论文
+1/10
-
北理工柔性电子国家杰青团队招博士后及科研助理
+1/9
-
海南师范大学招收化学博士（光电功能材料课题组招收博士研究生）
+1/8
-
与老师沟通
+2/5
-
实验室研究员
+1/4
-
有没有做核磁共振系统的虫友呢
+1/4
-
南京大学FinTech大模型实验室招募斯坦福国际联培博士生（2026）
+1/2
6楼2021-03-23 09:28:35
4楼2021-03-22 23:08:49
5楼2021-03-23 06:43:08
7楼2021-03-23 09:56:42