Automated Author ProfileGerit Brandenburg, Jan
Gerit Brandenburg, Jan
Current S-Index
Sum of Dataset Indices for all datasets
Average Dataset Index per Dataset
Average Dataset Index per dataset
Total Datasets
Total datasets for this author
Average FAIR Score
Average FAIR Score per dataset
Total Citations
Total citations to the author's datasets
Total Mentions
Total mentions of the author's datasets
S-Index Interpretation
The S-Index (Sharing Index) is a comprehensive metric that represents the cumulative impact of all your datasets. It is calculated as the sum of Dataset Index scores across all your claimed datasets.
What it means:
- A higher S-index indicates greater overall impact of your datasets relative to typical datasets in their fields of research
- The S-Index grows as you add more datasets or as existing datasets gain more citations and mentions
- It provides a single number to track your research data impact over time
Current S-Index: 0.2 (sum of 2 datasets Dataset Index scores)
More information here.
S-Index Over Time
Cumulative Citations Over Time
Cumulative Mentions Over Time
Datasets
Supplementary files for article "The seventh blind test of crystal structure prediction: structure generation methods"
A seventh blind test of crystal structure prediction was organized by the Cambridge Crystallographic Data Centre featuring seven target systems of varying complexity: a silicon and iodine-containing molecule, a copper coordination complex, a near-rigid molecule, a cocrystal, a polymorphic small agrochemical, a highly flexible polymorphic drug candidate, and a polymorphic morpholine salt. In this first of two parts focusing on structure generation methods, many crystal structure prediction (CSP) methods performed well for the small but flexible agrochemical compound, successfully reproducing the experimentally observed crystal structures, while few groups were successful for the systems of higher complexity. A powder X-ray diffraction (PXRD) assisted exercise demonstrated the use of CSP in successfully determining a crystal structure from a low-quality PXRD pattern. The use of CSP in the prediction of likely cocrystal stoichiometry was also explored, demonstrating multiple possible approaches. Crystallographic disorder emerged as an important theme throughout the test as both a challenge for analysis and a major achievement where two groups blindly predicted the existence of disorder for the first time. Additionally, large-scale comparisons of the sets of predicted crystal structures also showed that some methods yield sets that largely contain the same crystal structures.
(Please refer to https://hdl.handle.net/2134/27979856.v1 for full list of Authors)
© The Author(s), CC BY 4.0
Authors
- M Hunnisett, Lily ;
- Nyman, Jonas ;
- Francia, Nicholas ;
- S Abraham, Nathan ;
- S Adjiman, Claire ;
- Aitipamula, Srinivasulu ;
- Alkhidir, Tamador ;
- Almehairbi, Mubarak ;
- Anelli, Andrea ;
- M Anstine, Dylan ;
- E Anthony, John ;
- E Arnold, Joseph ;
- Bahrami, Faezeh ;
- A Bellucci, Michael ;
- M Bhardwaj, Rajni ;
- Bier, Imanuel ;
- A Bis, Joanna ;
- Daniel Boese, A ;
- H Bowskill, David ;
- Bramley, James ;
- Gerit Brandenburg, Jan ;
- E Braun, Doris ;
- WV Butler, Patrick ;
- Cadden, Joseph ;
- Carino, Stephen ;
- J Chan, Eric ;
- Chang, Chao ;
- Cheng, Bingqing ;
- M Clarke, Sarah ;
- J Coles, Simon ;
- I Cooper, Richard ;
- Couch, Ricky ;
- Cuadrado, Ramon ;
- Darden, Tom ;
- M Day, Graeme ;
- Dietrich, Hanno ;
- Ding, Yiming ;
- DiPasquale, Antonio ;
- Dhokale, Bhausaheb ;
- P van Eijck, Bouke ;
- Elsegood, Mark ;
- Firaha, Dzmitry ;
- Fu, Wenbo ;
- Fukuzawa, Kaori ;
- Glover, Joseph ;
- Goto, Hitoshi ;
- Greenwell, Chandler ;
- Guo, Rui ;
- Harter, Jürgen ;
- Helfferich, Julian ;
- WM Hofmann, Detlef ;
- Hoja, Johannes ;
- Hone, John ;
- Hong, Richard ;
- Hutchison, Geoffrey ;
- Ikabata, Yasuhiro ;
- Isayev, Olexandr ;
- Ishaque, Ommair ;
- Jain, Varsha ;
- Jin, Yingdi ;
- Jing, Aling ;
- R Johnson, Erin ;
- Jones, Ian ;
- Jovan Jose, KV ;
- A Kabova, Elena ;
- Keates, Adam ;
- Kelly, Paul ;
- Khakimov, Dmitry ;
- Konstantinopoulos, Stefanos ;
- N Kuleshova, Liudmila ;
- Li, He ;
- Lin, Xiaolu ;
- List, Alexander ;
- Liu, Congcong ;
- Michelle Liu, Yifei ;
- Liu, Zenghui ;
- Liu, Zhi-Pan ;
- W Lubach, Joseph ;
- Marom, Noa ;
- A Maryewski, Alexander ;
- Matsui, Hiroyuki ;
- Mattei, Alessandra ;
- Alex Mayo, R ;
- W Melkumov, John ;
- Mohamed, Sharmarke ;
- Momenzadeh Abardeh, Zahrasadat ;
- S Muddana, Hari ;
- Nakayama, Naofumi ;
- Singh Nayal, Kamal ;
- A Neumann, Marcus ;
- Nikhar, Rahul ;
- Obata, Shigeaki ;
- O'Connor, Dana ;
- R Oganov, Artem ;
- Okuwaki, Koji ;
- Otero-de-la-Roza, Alberto ;
- C Pantelides, Constantinos ;
- Parkin, Sean ;
- J Pickard, Chris ;
- Wilkinson, Luke
Supplementary files for article "The seventh blind test of crystal structure prediction: structure generation methods"
A seventh blind test of crystal structure prediction was organized by the Cambridge Crystallographic Data Centre featuring seven target systems of varying complexity: a silicon and iodine-containing molecule, a copper coordination complex, a near-rigid molecule, a cocrystal, a polymorphic small agrochemical, a highly flexible polymorphic drug candidate, and a polymorphic morpholine salt. In this first of two parts focusing on structure generation methods, many crystal structure prediction (CSP) methods performed well for the small but flexible agrochemical compound, successfully reproducing the experimentally observed crystal structures, while few groups were successful for the systems of higher complexity. A powder X-ray diffraction (PXRD) assisted exercise demonstrated the use of CSP in successfully determining a crystal structure from a low-quality PXRD pattern. The use of CSP in the prediction of likely cocrystal stoichiometry was also explored, demonstrating multiple possible approaches. Crystallographic disorder emerged as an important theme throughout the test as both a challenge for analysis and a major achievement where two groups blindly predicted the existence of disorder for the first time. Additionally, large-scale comparisons of the sets of predicted crystal structures also showed that some methods yield sets that largely contain the same crystal structures.
(Please refer to https://hdl.handle.net/2134/27979856.v1 for full list of Authors)
© The Author(s), CC BY 4.0
Authors
- M Hunnisett, Lily ;
- Nyman, Jonas ;
- Francia, Nicholas ;
- S Abraham, Nathan ;
- S Adjiman, Claire ;
- Aitipamula, Srinivasulu ;
- Alkhidir, Tamador ;
- Almehairbi, Mubarak ;
- Anelli, Andrea ;
- M Anstine, Dylan ;
- E Anthony, John ;
- E Arnold, Joseph ;
- Bahrami, Faezeh ;
- A Bellucci, Michael ;
- M Bhardwaj, Rajni ;
- Bier, Imanuel ;
- A Bis, Joanna ;
- Daniel Boese, A ;
- H Bowskill, David ;
- Bramley, James ;
- Gerit Brandenburg, Jan ;
- E Braun, Doris ;
- WV Butler, Patrick ;
- Cadden, Joseph ;
- Carino, Stephen ;
- J Chan, Eric ;
- Chang, Chao ;
- Cheng, Bingqing ;
- M Clarke, Sarah ;
- J Coles, Simon ;
- I Cooper, Richard ;
- Couch, Ricky ;
- Cuadrado, Ramon ;
- Darden, Tom ;
- M Day, Graeme ;
- Dietrich, Hanno ;
- Ding, Yiming ;
- DiPasquale, Antonio ;
- Dhokale, Bhausaheb ;
- P van Eijck, Bouke ;
- Elsegood, Mark ;
- Firaha, Dzmitry ;
- Fu, Wenbo ;
- Fukuzawa, Kaori ;
- Glover, Joseph ;
- Goto, Hitoshi ;
- Greenwell, Chandler ;
- Guo, Rui ;
- Harter, Jürgen ;
- Helfferich, Julian ;
- WM Hofmann, Detlef ;
- Hoja, Johannes ;
- Hone, John ;
- Hong, Richard ;
- Hutchison, Geoffrey ;
- Ikabata, Yasuhiro ;
- Isayev, Olexandr ;
- Ishaque, Ommair ;
- Jain, Varsha ;
- Jin, Yingdi ;
- Jing, Aling ;
- R Johnson, Erin ;
- Jones, Ian ;
- Jovan Jose, KV ;
- A Kabova, Elena ;
- Keates, Adam ;
- Kelly, Paul ;
- Khakimov, Dmitry ;
- Konstantinopoulos, Stefanos ;
- N Kuleshova, Liudmila ;
- Li, He ;
- Lin, Xiaolu ;
- List, Alexander ;
- Liu, Congcong ;
- Michelle Liu, Yifei ;
- Liu, Zenghui ;
- Liu, Zhi-Pan ;
- W Lubach, Joseph ;
- Marom, Noa ;
- A Maryewski, Alexander ;
- Matsui, Hiroyuki ;
- Mattei, Alessandra ;
- Alex Mayo, R ;
- W Melkumov, John ;
- Mohamed, Sharmarke ;
- Momenzadeh Abardeh, Zahrasadat ;
- S Muddana, Hari ;
- Nakayama, Naofumi ;
- Singh Nayal, Kamal ;
- A Neumann, Marcus ;
- Nikhar, Rahul ;
- Obata, Shigeaki ;
- O'Connor, Dana ;
- R Oganov, Artem ;
- Okuwaki, Koji ;
- Otero-de-la-Roza, Alberto ;
- C Pantelides, Constantinos ;
- Parkin, Sean ;
- J Pickard, Chris ;
- Wilkinson, Luke