| 查看: 3345 | 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:
-
祝福！基金中中中！！！！
+1/397
-
期待你的到来
+1/375
-
上海同城
+1/118
-
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
-
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
-
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/工程师
+1/79
-
中国科大-合肥国家实验室冷原子量子网络团队招聘启事
+2/44
-
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
-
清华大学深圳国际研究生院招聘-博士后（长期有效）
+1/29
-
华南理工大学招2027年生物材料、药物递送申请考核制博士生
+1/27
-
祈福！
+1/25
-
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
-
论文祈福
+1/9
-
北理工集成电路杰青团队 | 诚招科助理
+1/7
-
关于Ghaffar-Parkins催化剂催化氰基水解为酰胺的问题
+1/6
-
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
-
中国科学院生态环境研究中心环境工程相关方向招收保送硕士和联合培养博士和硕士研究生
+1/4
-
UTS 招收2027年入学博士生
+1/3
-
中国科学技术大学环境学院招聘招生
+1/2
5楼2021-03-23 06:43:08
4楼2021-03-22 23:08:49
6楼2021-03-23 09:28:35
7楼2021-03-23 09:56:42
