Tutorials Reading Notes
- DELL PowerEdge T620
- System: Windows 10 Pro,64-bit operating system
- CPU: Inter Xeon E5-2697 firstname.lastname@example.orgGHz(48CPUs), x64-based processor
- RAM: 32GB (DDR3)
- ROM: 300GB
- GPU: GTX1660 Super, P106-90
Please notice that: Only one GPU could be used When the system is working.
JAIST super computer
After user joined the MPC group, he or she can use JAIST super computers.
Please check this article：http://sobereva.com/355
After joining the MPC group to become JAIST super computer user, you can use Gaussian. Please check here:
- SGI UV3000: https://www.jaist.ac.jp/iscenter/en/software/science/gaussian/running-a-batch-job-uv3000-pcc/
- VPCC : https://www.jaist.ac.jp/iscenter/en/software/science/gaussian/gaussview/
About Gaussian tutorials, please check Bilibili or Youtube or official documents. But here I have soe tips about it:
Before you start the frequency job type(to calculate vibrational spectrum), make sure that the structure of molecule has been finished structural / geometric optimization（job type is optimization). Or, please set the job type is Opt + Freq.
About calculation results(via DFT), I recommond you to read this paper before analyzing them: Vibrational frequency prediction using density functional theory (https://doi.org/10.1016/0009-2614(96)00483-6)
Exploring Chemistry With Electronic Structure Methods(Second Edition)
Academic reading（translation） & writing
About reading, I always need translation in order to understand the meaning of paper. I use these resources:
Copytranslator, one powerful PDF translator: https://github.com/CopyTranslator/CopyTranslator/
OCR.Space, Free Online OCR - Convert images and PDF to text: http://ocr.space/
Saladict 沙拉查词, powerful PDF reader with machine transltors: https://saladict.crimx.com/
About writing, make some training like reaction paper is a good way to improve writing ability.