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- 11:05, 15 November 2023 diff hist +1 How to calculate the dielectric constant in VASP
- 11:05, 15 November 2023 diff hist +715 N How to calculate the dielectric constant in VASP Created page with "To calculate the dielectric constant in VASP, add the following to your INCAR after relaxing the structure to phonon accuracy. LEPSILON=.TRUE. LPEAD=.TRUE. IBRION=8 #LRPA..."
- 11:01, 15 November 2023 diff hist +54 HRGHowto
- 14:06, 3 November 2023 diff hist +308 How to calculate the NEB diffusion barrier current
- 14:02, 3 November 2023 diff hist +9 How to calculate the NEB diffusion barrier
- 13:57, 3 November 2023 diff hist +456 N How to calculate the NEB diffusion barrier Created page with "This is a rudimentary guide for NEB. Step 1: Generate start and end state POSCARS Step 2: Decide how many in between images you wish (X) Step 3: Copy into Directory '00' an..."
- 13:53, 3 November 2023 diff hist +77 HRGHowto
- 15:15, 27 October 2023 diff hist +587 N First principles study of layered scandium disulfide for use as Li-ion and beyond-Li-ion batteries Created page with "The original title of this was: ScS2 - a brilliant new cathode material. But that was rejected by popular vote. However, that is what the article describes. ScS2 is pote..." current
- 09:40, 27 October 2023 diff hist +111 HRGPublish
- 18:32, 13 October 2023 diff hist +1 HRGMembers
- 18:31, 13 October 2023 diff hist +1 HRGMembers
- 18:30, 13 October 2023 diff hist +3 HRGMembers
- 18:28, 13 October 2023 diff hist 0 N File:Pitifield.jpeg current
- 18:28, 13 October 2023 diff hist +20 HRGMembers
- 17:02, 12 October 2023 diff hist 0 File:Https---artemis-materials.co.uk-GroupImages-Ned.jpg Shepplestone uploaded a new version of File:Https---artemis-materials.co.uk-GroupImages-Ned.jpg current
- 17:02, 12 October 2023 diff hist −2 HRGMembers
- 17:01, 12 October 2023 diff hist 0 File:Https---artemis-materials.co.uk-GroupImages-Frank.jpg Shepplestone uploaded a new version of File:Https---artemis-materials.co.uk-GroupImages-Frank.jpg current
- 17:00, 12 October 2023 diff hist 0 File:Https---artemis-materials.co.uk-GroupImages-Quinton.jpg Shepplestone uploaded a new version of File:Https---artemis-materials.co.uk-GroupImages-Quinton.jpg current
- 16:55, 12 October 2023 diff hist 0 N File:Https---artemis-materials.co.uk-GroupImages-Quinton.jpg
- 16:51, 12 October 2023 diff hist +21 N File:Https---artemis-materials.co.uk-GroupImages-Ned.jpg NedGold
- 16:50, 12 October 2023 diff hist −1 HRGMembers
- 16:47, 12 October 2023 diff hist 0 N File:Https---artemis-materials.co.uk-GroupImages-Frank.jpg
- 16:47, 12 October 2023 diff hist +195 HRGMembers
- 16:28, 12 October 2023 diff hist +102 N Band alignment of transition metal dichalcogenide heterostructures Created page with "The article is available here [https://journals.aps.org/prb/abstract/10.1103/PhysRevB.103.045417|here]" current
- 16:26, 12 October 2023 diff hist +96 N Computational analysis of the enhancement of photoelectrolysis using transition metal dichalcogenide heterostructures Created page with "The article is available here [https://iopscience.iop.org/article/10.1088/1361-648X/ac7d2c|here]" current
- 16:26, 12 October 2023 diff hist +86 N Phase Stability and Electronic Properties of Hybrid Organic–Inorganic Perovskite Solid Solution (CH(NH2)2)x(CH3NH3)1–xPb(BryI1–y)3 as a Function of Composition Created page with "The article is available here [https://pubs.acs.org/doi/10.1021/acs.jpcc.2c03555|here]" current
- 16:25, 12 October 2023 diff hist +127 HRGPublish
- 16:23, 12 October 2023 diff hist +111 N First principles study of layered transition metal dichalcogenides for use as electrodes in Li-ion and Mg-ion batteries Created page with "The article is available to read here: [https://pubs.rsc.org/en/content/articlelanding/2023/TA/D3TA00940H|here]" current
- 16:22, 12 October 2023 diff hist +132 HRGPublish
- 08:52, 2 October 2023 diff hist +86 HRGCODES
- 10:23, 29 September 2023 diff hist +33 HRGResearch
- 10:21, 29 September 2023 diff hist +82 HRGMembers
- 10:09, 23 August 2023 diff hist +1,253 User:Shepplestone current
- 20:23, 24 April 2023 diff hist +515 How to calculate the Fermi energy for a simple metal, given a charge density current
- 20:17, 24 April 2023 diff hist +8 How to calculate the Fermi energy for a simple metal, given a charge density
- 20:16, 24 April 2023 diff hist +343 Band alignment →Band alignment current
- 20:14, 24 April 2023 diff hist +512 N Band alignment Created page with "==Band alignment== The term band alignment refers to when 2 (or more) materials join at a point. We split these into three categories, based on whether each material is a me..."
- 12:54, 24 April 2023 diff hist +20 HRGResearch
- 08:44, 25 July 2022 diff hist 0 ARTEMIS: Ab initio Restructuring Tool Enabling the Modelling of Interface Structures current
- 08:44, 25 July 2022 diff hist 0 ARTEMIS: Ab initio Restructuring Tool Enabling the Modelling of Interface Structures
- 08:44, 25 July 2022 diff hist +295 N ARTEMIS: Ab initio Restructuring Tool Enabling the Modelling of Interface Structures Created page with "== ARTEMIS: Ab initio Restructuring Tool Enabling the Modelling of Interface Structures == The article is open source and can be found here|https://www.sciencedirect.com/sc..."
- 08:40, 25 July 2022 diff hist +1,341 HRGPublish
- 21:54, 16 May 2022 diff hist +30 HRGMembers
- 09:05, 19 April 2022 diff hist +373 N Band diagrams Created page with "Band diagrams are a schematic illustrating the variation of a band's energy value with position. Key aspects used to align these bands are: - the position of the band with r..." current
- 18:06, 11 February 2022 diff hist +216 The cohesive energy of Iron current
- 23:27, 10 February 2022 diff hist +1 The cohesive energy of Iron
- 23:26, 10 February 2022 diff hist +1 The cohesive energy of Iron
- 23:25, 10 February 2022 diff hist 0 The cohesive energy of Iron
- 23:24, 10 February 2022 diff hist +728 N The cohesive energy of Iron Created page with "The cohesive energy of Fe is a good example of a "spin" system. This system is colinear which means we can consider electrons either polarised as spin up or spin down. Like b..."
- 12:04, 9 February 2022 diff hist +8 How to calculate the Fermi energy for a simple metal, given a charge density
