Computational Chemistry / Materials Modelling at University of Bath
Bath, England
Joined January 2012
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- Following72
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Benjamin Morgan retweeted
Finally out in @ACSEnergyLett, @agsquires deep dive into oxygen dimerization in LiNiO2: pubs.acs.org/doi/10.1021/acs… @FI_Futurecat @UoBChemistry @uob_bear @ARCHER2_HPC @Kavanagh_Sean_ @c_n_savory
Benjamin Morgan retweeted
Correlated Anion Disorder in Heteroanionic Cubic TiOF2 | Journal of the American Chemical Society @LeMansUniv @UniofBath @FaradayInst @ScienceSorbonne
@SorbonneParis1 #Anion #Disorder #Heteroanionic #Cubic #TiOF2 pubs.acs.org/doi/10.1021/jac…
Benjamin Morgan retweeted
Great to see not one but two papers from @FaradayInst @CATMAT_FI in the June issue of @NatureMaterials.
Both relate to new insights into lithium-rich oxide cathodes by @brucegroupox @SaifulChemistry @R_A_House @pzarabadip @bjmorganj, K. McColl, J.-J. Marie & others.
Benjamin Morgan retweeted
📢Our new paper on lithium-rich layered oxide cathodes - now out in June issue of @NatureMaterials.
Excellent work from Kit McColl @BathChem with @bjmorganj & @pzarabadip at @OxfordMaterials @mplsoxford as part of @FaradayInst @CATMAT_FI project.
nature.com/articles/s41563-0…
We have a fixed-term teaching position in Physical and Computational Chemistry available at @BathChem: bath.ac.uk/jobs/Vacancy.aspx…
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Now out in @NatureMaterials: Computational modelling of phase segregation and formation of nanoconfined fluid O2 at the top of charge in Li-rich Li1.2Mn0.8O2. Lovely work from Kit.
doi.org/10.1038/s41563-024-0…
New preprint up on short-range anion ordering in the disordered oxyfluoride TiOF2: doi.org/10.26434/chemrxiv-20…
Benjamin Morgan retweeted
It's exam season!
A gentle reminder that reading notes and highlighting isn't useful, and that you need to self-test, space your revision, and interrogate your understanding.
(All of this works super well in a study group, which also makes it social!)
files.eric.ed.gov/fulltext/E…
Benjamin Morgan retweeted
Celebrating solid electrolyte materials and understanding of defects in @ChemMater best papers symposium. Great talks by @ClementGroupSB and A. Squires. #ACSSpring2024
Benjamin Morgan retweeted
PLEASE RETWEET: Two postdoctoral postions available using Computational Chemistry techniques on emerging cathodes for Li-ion batteries @UoBChemistry, as part of the @FI_Futurecat project. edzz.fa.em3.oraclecloud.com/…
Benjamin Morgan retweeted
We show that you can train an ML force field from the relaxation trajectories used to construct a cluster expansion model.
This force field can then be used to calculate vibrational free energies at very low cost, leading to more accurate simulated phase diagrams.
Benjamin Morgan retweeted
🔋 Next Friday is the deadline to register for our 1st Annual Symposium for Advanced Battery Materials!🔋
Details of our event, and how to register here:⬇️
rsc.org/events/detail/76576/…
ALT 1st Annual Symposium for Advanced Battery Materials Registration Deadline 27th October 2023 RSC Energy Sector
ALT 1st Annual Symposium for Advanced Battery Materials Invited Speakers Professor Raphaële Clément Dr Chun Ann Huang Dr Benjamin Morgan Professor Mauro Pasta Professor Magda Titirici Professor Wolfgang Zeier RSC Energy Sector
ALT 1st Annual Symposium for Advanced Battery Materials Contributed Poster and Oral Presentations RSC Energy Sector
Now published in @acsJACS: Dynamic Lone Pairs and Fluoride-Ion Disorder in Cubic-BaSnF4 pubs.acs.org/doi/10.1021/jac…. @C_MASQUELIER
Benjamin Morgan retweeted
Delighted & grateful for the Phase 2 @FaradayInst support of our @CATMAT_FI project on high energy density Li-ion cathode materials.
Groups include @brucegroupox @prslaterchem @Emjewls @RosseinskyGroup @bjmorganj @OxfordMaterials @UCLChemistry & others.
faraday.ac.uk/four-projects-…
New preprint: cubic-BaSnF4 appears to be a simple fluorite using XRD, but a closer look reveals coupled lone-pair–fluoride-ion dynamics and massive fluoride-ion disorder: chemrxiv.org/engage/chemrxiv…
Benjamin Morgan retweeted
📢New paper in @JMaterChem on 'Anion-polarisation-directed short-range-order in antiperovskite Li2FeSO'.
Great collaboration: @FaradayInst projects @CATMAT_FI & @FI_Futurecat incl @UniofBathSci @OxfordChemistry @msesheffield @isisneutronmuon.
Link pubs.rsc.org/en/content/arti…
New preprint / collaboration with @an_drewmcc → Using approximate Bayesian regression to accurately estimate diffusion coefficients and their uncertainties from MD simulations. doi.org/10.48550/arXiv.2305.…
Benjamin Morgan retweeted
📢Fully funded PhD in computer modelling of novel fluoride-ion battery materials based at @UniofBathSci @BathChem with @bjmorganj in collaboration with me at @OxfordMaterials.
*Please retweet - thanks*
Info & online application (deadline 31-May) findaphd.com/phds/project/co…
Fully funded PhD in computational chemistry at @BathChem with me + @SaifulChemistry (Oxford Materials) on modelling F-ion battery materials. findaphd.com/phds/project/co… Application closes May 31st.
