Benjamin Morgan

Computational Chemistry / Materials Modelling at University of Bath

[David Scanlon @scanlond81]

Finally out in @ACSEnergyLett, @agsquires deep dive into oxygen dimerization in LiNiO2: https://t.co/om3wLin46S @FI_Futurecat @UoBChemistry @uob_bear @ARCHER2_HPC @Kavanagh_Sean_ @c_n_savory

[J. Am. Chem. Soc. @J_A_C_S]

Correlated Anion Disorder in Heteroanionic Cubic TiOF2 | Journal of the American Chemical Society @LeMansUniv @UniofBath @FaradayInst @ScienceSorbonne
@SorbonneParis1 #Anion #Disorder #Heteroanionic #Cubic #TiOF2 https://t.co/2ojsa65hT2

[CATMAT-Faraday Institution Cathodes Project @CATMAT_FI]

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.

[Prof Saiful Islam @SaifulChemistry]

📢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.

https://t.co/SFVpMF1v89

[Benjamin Morgan @bjmorganj]

We have a fixed-term teaching position in Physical and Computational Chemistry available at @BathChem: https://t.co/CWCvgP2qUT

[Benjamin Morgan @bjmorganj]

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.
https://t.co/rBtdxCTapd

[Benjamin Morgan @bjmorganj]

New preprint up on short-range anion ordering in the disordered oxyfluoride TiOF2: https://t.co/ae2RSWZkAV

[Jarvist Moore Frost @JarvistFrost]

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!)

https://t.co/MfOJXdPgwM

[Sara Skrabalak @SaraSkrabalak]

Celebrating solid electrolyte materials and understanding of defects in @ChemMater best papers symposium. Great talks by @ClementGroupSB and A. Squires. #ACSSpring2024

[David Scanlon @scanlond81]

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. https://t.co/PYRk4APB4r

[Kasper Tolborg @KasperTolborg]

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.

[RSC Energy Sector @RSCEnergySector]

🔋 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:⬇️
https://t.co/9QOGIWrirT

[Benjamin Morgan @bjmorganj]

Now published in @acsJACS: Dynamic Lone Pairs and Fluoride-Ion Disorder in Cubic-BaSnF4 https://t.co/zfkh9BLVLF. @C_MASQUELIER

[Prof Saiful Islam @SaifulChemistry]

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.
https://t.co/CCkRvAFsuZ

[Benjamin Morgan @bjmorganj]

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: https://t.co/yj0u6WJP6l

[Benjamin Morgan @bjmorganj]

@haahr_larsen @an_drewmcc This might just be in my immediate research area, but I often see diffusion coefficients from MD reported without uncertainties (and those papers that do often don’t say how those uncertainties are calculated) making it impossible to draw quantitative conclusions from the data.

[Prof Saiful Islam @SaifulChemistry]

📢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 https://t.co/w3TIkhwZ6k

[Benjamin Morgan @bjmorganj]

New preprint / collaboration with @an_drewmcc → Using approximate Bayesian regression to accurately estimate diffusion coefficients and their uncertainties from MD simulations. https://t.co/O84A6L0vAT

[Prof Saiful Islam @SaifulChemistry]

📢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) https://t.co/8t1d29AGQw

[Benjamin Morgan @bjmorganj]

@Robert_Palgrave APS. Give them the URL for your arXiv pre-print, and it just slurps in the manuscript. Plus, actual copy-editing during the proofing stage, and they haven't switched to an awkward online proofing platform.