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=Useful Readings= ''' List of very useful papers ''' * Fundamentals of Plane Wave calculations: [http://prola.aps.org/abstract/RMP/v64/i4/p1045_1 ] * Test on functionals: [http://prola.aps.org/abstract/PRB/v59/i11/p7413_1] * CI-NEB: [http://theory.cm.utexas.edu/vtsttools/neb.html#climbing-image] * d-band model: [http://prola.aps.org/abstract/PRL/v76/i12/p2141_1] * Ab initio thermodynamics: [http://prl.aps.org/abstract/PRL/v84/i16/p3650_1] [http://sfx.urv.cat/urv/cgi/core/sfxresolver.cgi?tmp_ctx_svc_id=1&tmp_ctx_obj_id=1&service_id=1000000000000460&request_id=624284&rft.year=2003&rft.volume=118&rft.issue=24&rft.spage=11179]-broken [http://prb.aps.org/abstract/PRB/v67/i8/e085410] * Universality and related concepts: [http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6WHJ-4C4BK02-2&_user=1517337&_coverDate=05%2F15%2F2004&_alid=685117810&_rdoc=8&_fmt=full&_orig=search&_cdi=6852&_sort=d&_docanchor=&view=c&_ct=29&_acct=C000053456&_version=1&_urlVersion=0&_userid=1517337&md5=18bed248f00f637918096b4132a79e66]-broken [http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=PRLTAO000099000001016105000001&idtype=cvips]-broken [http://pubs.acs.org/cgi-bin/article.cgi/jacsat/2001/123/i34/pdf/ja010963d.pdf] * Linear-scaling relationships: [http://prl.aps.org/abstract/PRL/v99/i1/e016105] [http://www3.interscience.wiley.com/journal/119163499/abstract]-broken * Bronsted-Evans-Polanyi relationships: [http://www.sciencedirect.com/science/article/pii/S0021951704001010] * Sabatier contour plots: [http://www3.interscience.wiley.com/journal/119230116/abstract]-broken * Bayesian: [http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=PRLTAO000095000021216401000001&idtype=cvips]-broken * Concepts of Modern Catalysis And Kinetics: [http://www.catalysis.nl/kica/]-broken * Computational scaling [http://aliga.iciq.es/wiki/index.php/Image:Computational_scaling.pdf] * New functional [http://www.nature.com/nchem/journal/vaop/ncurrent/full/nchem.2535.html] * Ten Tips for Capturing Figures with Captions: [https://pubs.acs.org/doi/10.1021/acsenergylett.9b00253] * Advances in Density-Functional Calculations for Materials Modeling: [https://www-annualreviews-org.sabidi.urv.cat/doi/pdf/10.1146/annurev-matsci-070218-010143] * So You Want to Be a Research Scientist: [https://medium.com/s/story/so-you-want-to-be-a-research-scientist-363c075d3d4c] * The role of computational results databases in accelerating the discovery of catalysts: [https://www.nature.com/articles/s41929-018-0176-4.epdf?author_access_token=wd9p--hqh5AzTjOTKdU05NRgN0jAjWel9jnR3ZoTv0MxBw5NFQv3CUqFzx3nWubbwoq1x1G7DGlpNykdKUr52Omeo9H_4bsIEuGYkxJ8x6H6fKk6h1K1ocfTfqklwcmO17pBTQc1E9VF6hqlyT0b8w%3D%3D] * The care and maintenance of your adviser: [https://www.nature.com/naturejobs/2011/110127/pdf/nj7331-570a.pdf?utm_content=buffer62a8a&utm_medium=social&utm_source=twitter.com&utm_campaign=buffer&foxtrotcallback=true&error=cookies_not_supported&code=7874ce4c-7164-42c3-a08c-07354598c102] * Tips for structuring your papers: [https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1005619&type=printable] [https://acsoncampus.acs.org/wp-content/uploads/2017/11/manuscript-tips-poster-newlogo-FINAL.pdf?utm_source=Twitter&utm_medium=Social&utm_campaign=Campus&hootPostID=e5b2f8b828ada54ef8db7fa8954eda0f] [https://threadreaderapp.com/thread/1111773593656918016.html] * The 11-step guide to running effective meetings: [https://www.nature.com/articles/d41586-019-02295-z?utm_source=twt_nnc&utm_medium=social&utm_campaign=naturenews&sf216635458=1] * Best practices in machine learning for chemistry: [https://www.nature.com/articles/s41557-021-00716-z] '''Videos''' * Dr. Eng Lim Goh presents: Prediction - Use Science or History? [https://www.youtube.com/watch?v=qbqfEocsvkI&feature=youtu.be] * Interesting video on scientific writing: [https://www.ibiology.org/professional-development/making-scientific-writing-painless/] ''' Thesis Submission''' * Things to keep in mind when you prepare your [[PhD Thesis]] * For when you cannot decide where to go to lunch [[lunch_rand]] '''Presentations''' [[Talks and Posters]] from group members
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