All public logs

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...")
• 09:22, 13 August 2025 Ntaylor talk contribs created page RAFFLE CODE (Created page with "pseudoRandom Approach For Finding Local Energetic minima (RAFFLE), or Representative Atomic Fingerprints For Learning interface Ensembles, is an open-source library (usable in...")
• 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 uploaded File:Baker.jpg
• 17:38, 19 December 2023 Shepplestone talk contribs created page File:Baker.jpg
• 17:36, 19 December 2023 Shepplestone talk contribs uploaded File:Https---artemis-materials.co.uk-GroupImages-EdBaker.jpg
• 17:36, 19 December 2023 Shepplestone talk contribs created page 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 uploaded File:Pitifield.jpeg
• 18:28, 13 October 2023 Shepplestone talk contribs created page File:Pitifield.jpeg
• 15:08, 13 October 2023 Eb531 talk contribs created page How to fit a potential using GULP and LAMMPS (Created page with "Steps 1. Download and make GULP (instructions are included in a README with GULP) 2. 3.")
• 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 uploaded 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
• 16:51, 12 October 2023 Shepplestone talk contribs uploaded File:Https---artemis-materials.co.uk-GroupImages-Ned.jpg (NedGold)
• 16:51, 12 October 2023 Shepplestone talk contribs created page File:Https---artemis-materials.co.uk-GroupImages-Ned.jpg (NedGold)
• 16:47, 12 October 2023 Shepplestone talk contribs uploaded File:Https---artemis-materials.co.uk-GroupImages-Frank.jpg
• 16:47, 12 October 2023 Shepplestone talk contribs created page 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]")
• 10:31, 29 September 2023 HMclean talk contribs created page How to calculate heat flow (Created page with "How to Calculate Heat Flow Introduction In thermodynamics, heat flow refers to the transfer of thermal energy between two objects or systems due to a temperature difference. C...")
• 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)
• 11:34, 22 September 2023 Ntaylor talk contribs created page Git repository management (Created page with "This page should provide a guide that should help you to set up and use git history/version control for developing software. == Accessing the group git == The git host that...")
• 08:32, 1 June 2023 Ntaylor talk contribs created page Permittivity (Created page with "This page contains a guide on how to perform permittivity (dielectric constant) calculations using Quantum Espresso (tested using version 7.1). The method outlined here invol...")
• 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...")
• 14:23, 7 June 2022 Ntaylor talk contribs created page ISHIFT (Created page with "'''ISHIFT''' = [integer] <br /> Default: '''ISHIFT''' = 3 <br /> Description: The tag '''ISHIFT''' selects the method used for generating unique offsets between the lower and...")
• 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

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