| 查看: 3344 | 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
哪位老哥知道今年的国自然具体哪一天放榜？
已经有9人回复
-
欢迎发来filecode的Mz6后的代码验证其规律
已经有72人回复
-
咱们一起用铁证分析2026国家社科基金中标与否
已经有26人回复
-
我的国基提前知道中了，可是同事的操作让我实在接受不了，怎么会有这样的人
已经有16人回复
-
有时候，自然基金真的不能太认真 （我的申报经验）
已经有12人回复
-
招聘 金属平磨液，抛光液研发工程师
已经有3人回复
-
时间戳又变了8-15
已经有23人回复
-
filecode=后面第一个是大写字母
已经有7人回复
-
filecode
已经有12人回复
-
小木虫上这么多卖论文的，真有人买论文么？感觉没必要啊
已经有13人回复
» 抢金币啦！回帖就可以得到:
-
今天看到省基金挂了，希望国基面上能中吧
+5/425
-
山东征女友，坐标济南
+1/200
-
中国科学院空天院精密干涉测量团队 精密机械结构工程师招聘启事
+1/83
-
东南大学杰青/海优团队招聘催化方向博士后
+1/81
-
中国科学院空天院精密干涉测量团队招聘光学/算法/机械方向博士后/特别研究助理
+1/80
-
中国科学院空天院精密干涉测量团队招聘光学/算法/机械方向博士后/特别研究助理
+1/80
-
广西大学 化学化工学院 新入职教师招生 化学、化学工程与技术、材料化工专业
+1/48
-
广东医科大学博士后招聘-基础医学，生信等方向
+1/38
-
加拿大/英属哥伦比亚大学曹彦凯课题组招收博后 [机器人/控制方向]
+1/35
-
天津大学环境学院童银栋教授招收博士后（生源要素循环/温室效应/新污染物方向）
+1/30
-
物理学报录用，散币感谢合作者和审稿人
+2/24
-
祈福
+1/18
-
西北工业大学 生科院 秦绪军课题组诚招博士后、博士/硕士研究生【长期有效】
+1/13
-
希望这篇论文能中
+2/12
-
论文祈福
+1/9
-
27推免-广州医科大学封红亮教授招收精神医学应用心理学推免生
+1/5
-
中国科学院生物物理研究所田勇课题组招聘联合培养生
+1/3
-
中国科学技术大学环境学院招聘招生
+1/2
-
海南大学化学院—功能分子器件团队2027博士招生+博士后招聘
+1/2
-
中山大学国家级青年人才课题组招收推免硕士2名（2027年入学）
+2/2
7楼2021-03-23 09:56:42
4楼2021-03-22 23:08:49
5楼2021-03-23 06:43:08
6楼2021-03-23 09:28:35
