| 查看: 3017 | 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
急需调剂
已经有9人回复
-
申博/考博
已经有4人回复
-
化工学硕294分，求导师收留
已经有37人回复
-
求调剂
已经有11人回复
-
260求调剂
已经有4人回复
-
一志愿华中农业071010，320求调剂
已经有19人回复
-
304求调剂
已经有7人回复
-
求博导｜生物质基多孔碳/超级电容方向，已有相关成果，寻能源材料/碳材料方向老师
已经有3人回复
-
二苯甲酮酸类衍生物
已经有6人回复
-
接受任何调剂
已经有4人回复
» 抢金币啦！回帖就可以得到:
-
陕科大环境学院招收0857和0830调剂考生【新增名额，最后一次，可跨门类】
+3/297
-
济南大学-先进建筑材料教育部工程研究中心-大牛团队-26届博士生申请
+1/182
-
山东征女友，坐标济南
+1/172
-
燕山大学亚稳材料全国重点实验室2026年博士研究生招生信息
+1/84
-
盐城师范学院生物与医药（生物技术与工程领域）还有调剂名额
+1/36
-
北华大学 08代码 调剂虚位以待
+1/36
-
大连海洋大学资源与环境专硕（0857）接收调剂学生
+1/14
-
香港城市大学机械系张冏博士课题组招聘博士后
+1/13
-
求助请教各位:如果您的算法被顶尖院校学术不端怎么办？
+1/12
-
稀土发光分析｜核壳结构｜寿命拟合
+1/12
-
佛山大学 动物科技学院 畜牧 欢迎广大学子报考！调剂名额若干
+1/9
-
复试调剂-招收调剂生（一志愿07开头专业），海洋生物专业4个名额
+1/7
-
重庆三峡科技大学物理电子学、场波专业接收调剂，考数二可调，系统4月12日开放
+1/7
-
南华大学资源环境专硕(环境工程方向)有调剂名额
+1/5
-
西安工程大学环境与化学工程学院学硕调剂（专硕可调学硕）
+1/3
-
安徽工程大学化学与环境工程学院2026级硕士研究生还有部分调剂名额-资源与环境专硕
+1/3
-
2026年中国劳动关系学院环境与资源（安全工程领域）专业硕士研究生调剂复试（第三轮）
+1/3
-
湖南理工大学 化学、化工调剂指标充足，录取率高
+1/2
-
安徽工程大学化学与环境工程学院2026级硕士研究生还有部分调剂名额-资源与环境专硕
+1/1
-
易度质量流量控制器，火焰处理工艺中燃气精准控制与安全保障
+1/1
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
