 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 1/1 | 返回列表 |
| 查看: 2945 | 回復: 14 | ||||
| 當前只顯示滿足指定條件的回帖，點擊這里查看本話題的所有回帖 | ||||
[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 漫天飄雪 on 2021-5-6 at 10:37 ] |
回復此樓» 收錄本帖的淘帖專輯推薦
 phonon |
» 猜你喜歡
26申博自薦
已經(jīng)有8人回復
-
接受26屆調(diào)劑生
已經(jīng)有15人回復
-
我嘗試在小木蟲上招計算機專業(yè)的調(diào)劑學生
已經(jīng)有6人回復
-
售SCI一區(qū)T0P文章，我:8.O.5.5.1.O.5.4,科目齊全,可+急
已經(jīng)有5人回復
-
售瀆SCI文章，我:8⊙ 55 1⊙ 54。備注【⊙=0】
已經(jīng)有4人回復
-
售瀆SCI文章，我:8⊙ 55 1⊙ 54。備注【⊙=0】
已經(jīng)有3人回復
-
售瀆SCI文章，我:8⊙ 55 1⊙ 54。備注【⊙=0】
已經(jīng)有3人回復
-
售瀆SCI文章，我:8⊙ 55 1⊙ 54。備注【⊙=0】
已經(jīng)有3人回復
-
一志愿山東大學105500藥學專碩，總分302求調(diào)劑
已經(jīng)有9人回復
-
售瀆SCI文章，我:8⊙ 55 1⊙ 54。備注【⊙=0】
已經(jīng)有5人回復
» 搶金幣啦！回帖就可以得到:
-
南京大學-廣州大學招聘博士后 歡迎廣大優(yōu)秀人才�。�！
+1/82
-
北京信息科技大學智能機器人技術(shù)方向，聯(lián)合清華培養(yǎng)碩生、博生，并長期招博士后
+1/80
-
誠邀原子層沉積技術(shù)方向博士后
+1/78
-
坐標南京或周邊附近
+1/21
-
綠色催化氧化團隊接收調(diào)劑研究生
+1/16
-
華中科技大學牛廣達教授招聘博士后
+1/13
-
青島科技大學-材料學院-青年泰山學者團隊招收多名碩士及調(diào)劑生-歡迎咨詢！
+1/9
-
安徽農(nóng)業(yè)大學許云輝教授課題組招收材料類、化工類、醫(yī)學類等工科專碩學碩考研調(diào)劑
+1/8
-
中南林業(yè)科技大學《微生物學》2026年博士生招生（“申請-審核”錄�。�
+1/8
-
天津大學浙江研究院（寧波）誠聘高分子/化學/材料方向博士后、青年特聘研究員
+1/8
-
溫州大學李新華教授課題組2026年招收碩士研究生信息
+1/7
-
謝和平院士團隊招收2026年度深地科學、巖石力學、資源能源開發(fā)領(lǐng)域的博士生1名
+1/7
-
人工智能300分 求調(diào)劑，有項目競賽經(jīng)歷，能寫代碼
+1/6
-
26屆計算機、電子信息類、電科、控制、通信考研T j信息pp駿：74+08+76+6+20/
+1/5
-
中南林業(yè)科技大學生物質(zhì)綠色轉(zhuǎn)化與功能材料課題組現(xiàn)招收2026年秋季入學博士研究生
+1/3
-
大灣區(qū)大學姚瑤課題組2026屆博士生招生
+1/3
-
#南方科技大學# 仿生醫(yī)藥與材料實驗室 招高分子方向博士生、科研助理
+1/3
-
中國農(nóng)業(yè)科學院農(nóng)業(yè)環(huán)境與可持續(xù)發(fā)展研究所博士后招聘啟事
+1/3
-
北京高校副校長團隊招收機械類，環(huán)境類學碩和專碩
+1/2
-
Ai-MOFs性能預測篩選技術(shù)
+1/1
6樓2021-03-23 09:28:35
4樓2021-03-22 23:08:49
5樓2021-03-23 06:43:08
7樓2021-03-23 09:56:42
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[教師之家] 售SCI一區(qū)T0P文章，我:8.O.5.5.1.O.5.4,科目齊全,可+急 +3 | 7mzg0e04z2 2026-03-06 | 5/250 |
|
|---|---|---|---|---|
|
[考研] 288求調(diào)劑085600材料與化工 +5 | Daunrin 2026-03-07 | 6/300 |
|
|
|
[考研] 085600材料與化工 298 調(diào)劑 +11 | 小西笑嘻嘻 2026-03-03 | 11/550 |
|
|
|
[考研]
 085600材料與化工 292分 求調(diào)劑
+6
|
程晴之 2026-03-06 | 6/300 |
|
|
|
[考研] 材料與化工328求調(diào)劑 +4 | 。，。，。，。i 2026-03-02 | 4/200 |
|
|
|
[考研] 290分材料工程085601求調(diào)劑 數(shù)二英一 +9 | llx0610 2026-03-02 | 10/500 |
|
|
|
[考研] 化學專業(yè)調(diào)劑 +5 | 好好好1233 2026-03-04 | 6/300 |
|
|
|
[考研] 304求調(diào)劑 +3 | 曼殊2266 2026-03-04 | 3/150 |
|
|
|
[考研] 267調(diào)劑求助 +5 | 聰少OZ 2026-03-04 | 5/250 |
|
|
|
[考研] 一志愿武漢理工大學-085602-總分296分-求調(diào)劑 +7 | 紫川葡柚 2026-03-04 | 7/350 |
|
|
|
[考研] 一志愿985材料與化工 326分求調(diào)劑 +3 | Hz795795 2026-03-04 | 3/150 |
|
|
|
[考研] 282求調(diào)劑 +5 | 2103240126 2026-03-02 | 8/400 |
|
|
|
[考研] 能動297求調(diào)劑，本科川大 +4 | 邵11 2026-03-04 | 4/200 |
|
|
|
[考博] 26申博 +5 | north， 2026-02-28 | 5/250 |
|
|
|
[考研] 復試調(diào)劑 +4 | 杰尼龜aaa 2026-03-03 | 4/200 |
|
|
|
[考研] 291求調(diào)劑 +4 | Afy123456 2026-03-03 | 7/350 |
|
|
|
[考研] 298求調(diào)劑一志愿中海洋 +3 | lour. 2026-03-03 | 3/150 |
|
|
|
[考研] 085700資環(huán)求調(diào)劑，初始279，六級已過，英語能力強 +3 | 085700資環(huán)調(diào)劑 2026-03-03 | 4/200 |
|
|
|
[考研] 材料工程274求調(diào)劑 +5 | Lilithan 2026-03-01 | 5/250 |
|
|
|
[考研] 275求調(diào)劑 +3 | L-xin? 2026-03-01 | 6/300 |
|