| 查看: 3016 | 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
271求调剂
已经有39人回复
-
一志愿中科大材料与化工，353分还有调剂学校吗
已经有10人回复
-
294求调剂
已经有4人回复
-
收到复试调剂但是去不了
已经有6人回复
-
有没有接收比较快的sci期刊呀，最好在一个月之内的，研三孩子求毕业
已经有5人回复
-
恳请有学校收留
已经有8人回复
-
一志愿华中农业071010，320求调剂
已经有17人回复
-
297，工科调剂?
已经有4人回复
-
291求调剂
已经有9人回复
-
300求调剂
已经有11人回复
» 抢金币啦！回帖就可以得到:
-
物理学调剂
+1/89
-
复旦大学 课题组 2026年9月批入学-博士招聘
+1/85
-
上海脱单，一个不算完美但足够真实的男生，期待认识你
+5/70
-
26年二次电池储能方向招博士-中山大学四青人才课题组
+5/50
-
山东航空学院安全工程专业085702第三轮接收研究生调剂，欢迎咨询
+1/35
-
大家好，请教个问题，连续挤出胶皮，有没有在线降低气味VOC的方式。
+1/19
-
粤港澳大湾区量子中心与南方科技大学联合招收2026级博士生（材料、凝聚态物理方向）
+1/16
-
【香港城市大学】范战西教授课题组现招收1名博士生（全奖, 2027年1月2号入学）
+1/14
-
河南省医学科学院王宁利院士/苗彦彦研究员科研团队、伏羲慧眼云平台团队2026年博士、�
+1/12
-
重庆三峡科技大学物理电子学专业接收调剂，考数二可调，系统开至4月10日，正在报名
+1/9
-
湖南理工大学化学化工学院的化学和化学工程与技术专业调剂
+1/9
-
广东石油化工学院刘诗咏教授团队化学化工、材料科学等方向尚有调剂名额
+1/8
-
接收资源与环境专业硕士调剂
+1/8
-
2026年华南师范大学光电科学与工程学院魏嵬课题组招收硕士调剂生化学专业
+1/8
-
广东以色列理工学院机械系姜又华课题组招收全奖研究生
+1/6
-
从上海旅行归来，想分享一下我的真实感受，每一句话都是真情实感
+1/4
-
知名外资仪器厂家急招Application Scientist-成都上海
+1/3
-
湖南理工大学 化学、化工调剂指标充足，录取率高
+1/2
-
大连海洋大学联合培养硕士调剂招生
+1/2
-
昆明理工大学陈江照教授团队招收博士研究生3名
+1/1
9楼2021-03-23 11:23:55
4楼2021-03-22 23:08:49
5楼2021-03-23 06:43:08
6楼2021-03-23 09:28:35
