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Combined display of all available logs of Hepplestone Research Group. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).

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• 13:24, 10 October 2025 Shepplestone talk contribs created page Experimental fabrication (Created page with " Below represents an ongoing attempt to reference the fabrication of various TMDCs. [Sulpur] {| class="wikitable" style="float:center; clear:right;" |MS2 experimental refere...")
• 16:54, 9 October 2025 Shepplestone talk contribs moved page Van Hoove singularities to Van Hove singularities
• 12:18, 8 October 2025 Shepplestone talk contribs created page Van Hoove singularities (Created page with "Van Hoove Singularities are divergences in the Density of states (that tend to infinity). i.e. <math>G(E)=A/((E-E_0)^n)</math> as the energy tends to <math>E_0</math>. Typ...")
• 09:30, 21 July 2025 Shepplestone talk contribs created page Link to departmental info etc (Created page with "This page contains non-group related information that is hosted here in an easy to access format. Placements Sustainability Researchers in Physics")
• 13:56, 15 May 2025 Shepplestone talk contribs created page Materials databases (Created page with "Materials Project [Materials project|https://next-gen.materialsproject.org/] Alexandria [Alexandria|https://alexandria.icams.rub.de/]")
• 14:15, 31 October 2024 Shepplestone talk contribs changed group membership for Ah1365 from (none) to HRGMem
• 14:15, 31 October 2024 User account Ah1365 talk contribs was created by Shepplestone talk contribs
• 10:22, 21 February 2024 Shepplestone talk contribs created page How to calculate the energy correction for charged defects (Created page with "You read an article on how to calculate the energy of charged defects.")
• 17:43, 19 December 2023 Shepplestone talk contribs uploaded a new version of File:Baker.jpg
• 17:38, 19 December 2023 Shepplestone talk contribs created page File:Baker.jpg
• 17:38, 19 December 2023 Shepplestone talk contribs uploaded File:Baker.jpg
• 17:36, 19 December 2023 Shepplestone talk contribs created page File:Https---artemis-materials.co.uk-GroupImages-EdBaker.jpg
• 17:36, 19 December 2023 Shepplestone talk contribs uploaded File:Https---artemis-materials.co.uk-GroupImages-EdBaker.jpg
• 10:32, 24 November 2023 Shepplestone talk contribs created page -ftree-parallelize-loops=NPROC (Created page with "-ftree-parallelize-loops=~NPROC This is a precompilation flag for fortran that tells the compiler to make your loops parrallelize over this many processors locally. NOTE unl...")
• 10:26, 24 November 2023 Shepplestone talk contribs created page How to do simple parallelise loops on single node machines - concurrent (Created page with "In fortran 2008 and onwards, we have a new command do concurrent(i:10:1) replaces do i=1,n,1 Do concurrent behaves as a normal do,. It enforces use of parralleliz...")
• 10:21, 24 November 2023 Shepplestone talk contribs created page How to include different bits of code at the compilation step - (Created page with "When compiling code, sometimes you don't want specific bits in the code due to it being tied to either a compiler version or a computational library (probably lapack). #ifdef...")
• 10:11, 24 November 2023 Shepplestone talk contribs created page Fortran quick tips and version tricks (Created page with "Here are a series of "advanced" fortran calls that are useful for programming. Where possible, we have noted the compiler version in the code so you can be sure of backward c...")
• 11:05, 15 November 2023 Shepplestone talk contribs created page 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...")
• 13:57, 3 November 2023 Shepplestone talk contribs created page 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...")
• 15:15, 27 October 2023 Shepplestone talk contribs created page 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...")
• 18:28, 13 October 2023 Shepplestone talk contribs created page File:Pitifield.jpeg
• 18:28, 13 October 2023 Shepplestone talk contribs uploaded File:Pitifield.jpeg
• 17:02, 12 October 2023 Shepplestone talk contribs uploaded a new version of File:Https---artemis-materials.co.uk-GroupImages-Ned.jpg
• 17:01, 12 October 2023 Shepplestone talk contribs uploaded a new version of File:Https---artemis-materials.co.uk-GroupImages-Frank.jpg
• 17:00, 12 October 2023 Shepplestone talk contribs uploaded a new version of File:Https---artemis-materials.co.uk-GroupImages-Quinton.jpg
• 16:55, 12 October 2023 Shepplestone talk contribs created page File:Https---artemis-materials.co.uk-GroupImages-Quinton.jpg
• 16:55, 12 October 2023 Shepplestone talk contribs uploaded File:Https---artemis-materials.co.uk-GroupImages-Quinton.jpg
• 16:51, 12 October 2023 Shepplestone talk contribs created page File:Https---artemis-materials.co.uk-GroupImages-Ned.jpg (NedGold)
• 16:51, 12 October 2023 Shepplestone talk contribs uploaded File:Https---artemis-materials.co.uk-GroupImages-Ned.jpg (NedGold)
• 16:47, 12 October 2023 Shepplestone talk contribs created page File:Https---artemis-materials.co.uk-GroupImages-Frank.jpg
• 16:47, 12 October 2023 Shepplestone talk contribs uploaded File:Https---artemis-materials.co.uk-GroupImages-Frank.jpg
• 16:28, 12 October 2023 Shepplestone talk contribs created page 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]")
• 16:26, 12 October 2023 Shepplestone talk contribs created page 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]")
• 16:26, 12 October 2023 Shepplestone talk contribs created page 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]")
• 16:23, 12 October 2023 Shepplestone talk contribs created page 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]")
• 10:17, 29 September 2023 Shepplestone talk contribs changed group membership for HMclean from (none) to HRGMem
• 10:17, 29 September 2023 User account HMclean talk contribs was created by Shepplestone talk contribs (Joined 2023)
• 20:14, 24 April 2023 Shepplestone talk contribs created page 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...")
• 08:44, 25 July 2022 Shepplestone talk contribs created page 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...")
• 09:05, 19 April 2022 Shepplestone talk contribs created page 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...")
• 23:24, 10 February 2022 Shepplestone talk contribs created page 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...")
• 09:25, 9 February 2022 Shepplestone talk contribs created page How to calculate the Fermi energy for a simple metal, given a charge density (Created page with "We first have to derive the Fermi energy for a simple metal. We assume that it is free electron like. Therefore E=hbar2k2/2m In this picture, we assume our solid is a cube...")
• 01:12, 18 January 2022 Shepplestone talk contribs created page The formation energy of the silicon (001) surface (Created page with "The formation energy of the silicon (001) surface is one of the easier surfaces to calculate, due to the fact that the stoichiometry is that of a single species. The approach...")
• 18:58, 8 December 2021 Shepplestone talk contribs changed group membership for Sd396 from (none) to HRGMem
• 00:51, 30 November 2021 Shepplestone talk contribs created page The Cohesive energy of a silicon (Created page with "The simplest formation energy is that of silicon. To do this first, we need to calculate the energy of the unit cell of silicon and an isolated silicon. The calculation belo...")
• 00:42, 30 November 2021 Shepplestone talk contribs created page How to calculate the formation energy of various systems (Created page with "There are a lot of different systems and formation energies one can calculate. The objective here is to try and provide an example for each case, which you can generalise. G...")
• 16:07, 27 July 2021 Shepplestone talk contribs created page Transition Metal Dichalogenides (Created page with " Transition Metal Dichalogenides referred to in short as TMDCs (though some groups use TMCs) are group of materials with the formula unit MX_2 where M is a metal and X is eith...")
• 11:28, 8 July 2021 Shepplestone talk contribs created page How to calculate work function, electron affinity and Schottky barriers (Created page with "This is a stage by stage guide to how we calculate the band alignment properties of metals and non metals. The example given uses VASP and the key words for doing the calcula...")
• 10:30, 8 July 2021 Shepplestone talk contribs deleted page How to calculate work function, electron affinity and Schokkty barriers (content was: "To calculate the Work function, Schottky Barrier or electron affinity, the procedure is very similar.", and the only contributor was "Thc208" (talk))
• 16:44, 7 July 2021 Shepplestone talk contribs changed group membership for Fd286 from (none) to HRGMem

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