Andreea Filip

Junior Research Fellow @Peterhouse_Cam and @ChemCambridge studying stochastic and quantum algorithms for electronic structure problems

[Pierre-Francois Loos @TitouLoos]

Thanks to @HughGABurton energy landscape approach, we were able to justify the usual linear extrapolation procedure in selected CI methods and propose a *new* non-linear extrapolation formula. Maths are neat and simple. #compchem
@ChemCambridge @LCPQ_UMR5626 @pterosor

[Lennard-Jones Centre @ljc_cam]

‼️Mon 2pm is the next in-person DG with lunch before 1pm‼️
1⃣ Elena Gelzinyte "Transferable MLIP for Bond Dissociation Energies of Drug-like Molecules"
2⃣ Daniel Graf "Enhancing Energetics within the Framework of Density-Corrected DFT"

Virtual access: https://t.co/WHVoVQ22Ji

[Venkat Kapil @venkatkapil24]

‼️LJC Virtual Discussion Seminars kickoff at 2pm
@M__Simoncelli @MAndreeaFilip @ljc_cam

1⃣ @GuglielmoMazzo3 A quantum computing algorithm to speed up Metropolis sampling

2⃣ @JinggangLan Solvated electron from first principles and machine learning

https://t.co/wrehvMNzK6

[Andreea Filip @MAndreeaFilip]

Our work on hybrid configuration interaction/multireference coupled cluster QMC methods is out now in JCP! https://t.co/kIsZDK0ZN1 #compchem @ChemCambridge @ThomGroupCam

[Lila CT @ct_lila]

Very happy to share our new preprint on the calculation of molecular excited states with quantum computing ! https://t.co/EHgE8MoUum We're exploring the Folded Spectrum method. @ThomGroupCam #compchem #QuantumComputing #quantum #ExcitedStates #preprint #VQE

[Paramvir Ahlawat @AhlawatParamvir]

Excited to share first, very basic simulation of heterogeneous nucleation of perovskite: a key observation on buried interface is formation of nano-voids if nucleation does not start on interface: this is directly seen in last week cool experiments: doi/10.1126/science.adg3755

[Andreea Filip @MAndreeaFilip]

@HughGABurton Thank you!

[Andreea Filip @MAndreeaFilip]

@davkovacs10 Thanks!

[Thom Group Cambridge @ThomGroupCam]

Andreea (@MAndreeaFilip) will have a poster on "Reducing Unitary Coupled Cluster Circuit Depth by Classical Stochastic Pre-Screening" published in https://t.co/LDTOF24U9u

[Physical Review Research @PhysRevResearch]

Reducing unitary coupled cluster circuit depth by classical stochastic amplitude prescreening, Maria-Andreea Filip, Nathan Fitzpatrick, David Muñoz Ramo, and Alex J. W. Thom @MAndreeaFilip @ThomGroupCam #atomicphysics #chemicalphysics https://t.co/ADq3zTQejm

[Thom Group Cambridge @ThomGroupCam]

The all-new HANDE 1.6 is now available from https://t.co/LVBYia1Ld0! New features include piecewise IP-DMQMC, (Trotterized) unitary CCMC, larger-scale multi-reference CCMC, faster projectors, and much more! See the full changelog and join our user group at https://t.co/0HghB51XRx

[Thom Group Cambridge @ThomGroupCam]

Version 1.5 of HANDE-QMC (https://t.co/mfDRdq7yMR) is now available from https://t.co/LVBYia1Ld0! Check it out if you're interested in a flexible, easily extensible Quantum Monte Carlo framework.

[Bang Cong Huynh @bangconghuynh]

I spent various lockdowns contemplating the roles of spatial symmetry in governing the reality of holomorphic Hartree–Fock solutions. This is only a baby step but I hope it gives us a more nuanced understanding of HF wavefunctions.
@ThomGroupCam #CompChem
https://t.co/YBrrJJhOks

[Andreea Filip @MAndreeaFilip]

Our latest @ThomGroupCam work on Stochastic Unitary Coupled Cluster is now out https://t.co/uZag3pPjnJ
@AIP_Publishing @ChemCambridge #CompChem