{ Computational Condensed Matter Club } @CompCondMat

A feed for the condensed matter, chemical physics and materials communities with a dedicated focus on theory and computation! La Jolla, San Diego Joined September 2018

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Paesani Lab @PaesaniLab

4 years ago

Francesco presented our recent progress in the development and application of #datadriven #manybody models at the #AiChE meeting in Boston. Do you want to try them out? Please check out our #MBX and #MBFit #compchem software: 👉 paesanigroup.ucsd.edu/software/mbx.h… 👉 paesanigroup.ucsd.edu/software/mb-fi…

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{ Computational Condensed Matter Club } @CompCondMat

4 years ago

Congratulations to @quantum_winger and Teri for leading their latest paper! "Elevating density functional theory to chemical accuracy for water through a density-corrected many-body formalism" now in @NatureComms! Great work from the @PaesaniLab #compchem #condmat check it out 🔥

Paesani Lab @PaesaniLab

4 years ago

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo pseudopotentials: Light–matter interaction of a molecule in a dissipative cavity from first principles by Wang et al. doi.org/https://doi.or… #CCMC @CompCondMat

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo pseudopotentials: Conductance switching of azobenzene-based self-assembled monolayers on cobalt probed by UHV conductive-AFM by Thomas et al. doi.org/10.1039/D1NR00… #CCMC @CompCondMat

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo pseudopotentials: Phonon Screening of Excitons in Semiconductors: Halide Perovskites and Beyond by Filip et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo pseudopotentials: Band gaps of liquid water and hexagonal ice through advanced electronic-structure calculations by Bischoff et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo pseudopotentials: Ab initio study of lattice dynamics of group IV semiconductors using pseudohybrid functionals for extended Hubbard interactions by Yang et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo pseudopotentials: Insights into the impact of Mn-doped inorganic CsPbBr3 perovskite on electronic structures and magnetism for photovoltaic application by Kanoun et al. doi.org/10.1016/j.mten… #CCMC @CompCondMat

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo pseudopotentials: Gate Control of Spin-Layer-Locking FETs and Application to Monolayer LuIO by Zhang et al. doi.org/10.1021/acs.na… #CCMC @CompCondMat

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo pseudopotentials: The Influence of Pressure on Structural, Elastic, Piezoelectric and Dielectric Properties of R3c‐BiAlO3 Based on Ab Initio Calculations by Almaghbash et al. doi.org/10.1002/slct.2… #CCMC @CompCondMat

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo: The effect of hydrostatic pressure on structural, piezoelectric and dielectric properties of wurtzite and zinc-blende BeO crystals with DFT-DFPT calculations by Almaghbash et al. doi.org/10.1016/j.phys… #CCMC @CompCondMat

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo pseudopotentials: Enhanced properties of covalently coupled borophene-graphene layers through fluorination and hydrogenation by Kochaev et al. doi.org/10.1016/j.apsu… #CCMC @CompCondMat

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo pseudopotentials: Hot electron cooling in InSb probed by ultrafast time-resolved terahertz cyclotron resonance by Xia et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo pseudopotentials: Comment on “Ab initio calculation of the shift photocurrent by Wannier interpolation” by Lihm et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo pseudopotentials: Deep-Learning Approach to First-Principles Transport Simulations by Bürkle et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo pseudopotentials: Kagome phosphorene molecular device for sensing chloropicrin and phosgene – A first-principles study by Princy et al. doi.org/10.1016/j.cple… #CCMC @CompCondMat

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo pseudopotentials: Gauge invariance of light-matter interactions in first-principle tight-binding models by Schüler et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat

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Michiel van Setten @mjvansetten

4 years ago

New #condmat #compchem work using #PseudoDojo pseudopotentials: Intrinsic Vibrational Angular Momentum from Nonadiabatic Effects in Noncollinear Magnetic Molecules by Bistoni et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat

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Etienne Palos @EtiennePalos

995 Followers 1K Following Theoretical chemist | @NSF MPS ASCEND fellow @UCBerkeley, @mhg_group | PhD @UCSanDiego, @PaesaniLab

Andrew S. Rosen @Andrew_S_Rosen

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A multidisciplinary, #openaccess journal devoted to the application and development of #machinelearning for the sciences. Published by @IOPPublishing.

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Gabriel Merino @theochemmerida

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Official Twitter account for the IOP TCMG, keep up with us here.
Account run by committee member Charlotte Vale (@jinkies_charli).

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Sergio De León @Sergeodesico

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STEM AIoT bio eco MIL
local geo space
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https://t.co/TO8l2fnar6

learn, or you don't
live long
––R A Heinlein

Dr. rer. nat. Robert ... @Robert_EKeller

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Amal Alamri 🏹🇬�... @amooolah2422

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7K Followers 2K Following Professor of Theoretical Chemistry @ Sorbonne Université & Director @ LCT (UMR 7616 CNRS)| CSO & co-founder @qubit_pharma| FRSC (Views are mine) #compchem

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Quanta Magazine @QuantaMagazine

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Theoretical chemist and physicist
Professor Aix Marseille Univ
Senior member @InstUnivFr
Head of the ICR #TheoChem group
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9K Followers 608 Following Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem

Driving the exascale transition. A European e-infrastructure funded by the EuroHPC Joint Undertaking within Horizon Europe GA 101093374. #MaX_CoE

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Working at the intersection of quantum chemistry, statistical mechanics, and computer/data science at @UCSanDiego. Account managed by all group members.

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3K Followers 289 Following Working at the intersection of quantum chemistry, statistical mechanics, and computer/data science at @UCSanDiego. Account managed by all group members.

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jobRxiv @jobRxiv

24K Followers 731 Following The international job board for scientists, by scientists. Are you hiring? ➡️ https://t.co/bgzNHCclCG

Christoph Jacob @chjacob

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freddy moxley @fmoxley3

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Theoretical Physicist, Dr. 🤓 #UCV - Comunicadora Científica-Divulgadora en @usal - Somos polvo de estrellas 💫 🇻🇪🇪🇨🇩🇪🇪🇸@lumes_usal @QuantumYear2025

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scientist, assistant prof @stanford, co-founder @clubescienciamx and @scienceclubsint, @ucsf postdoc, @harvard grad, timbero, oaxaqueño

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Quantum Nanoscience T... @QuantumNanoTUD

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🇨🇦 We post memes, comics, wholesome stuff & anything we like. Get original shirts to raise money for charity https://t.co/Upa2OFOAJk

WholesomeMemes @WholesomeMeme

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Postdoc @PaesaniLab @UCSDChemBiochem. @OSU_CBC alumni. Tweet mostly on Quantum Chemistry & multiscale simulation, but sporadically @ManCity, F1 & Chess appears.

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BSc Chemistry at Univalle in Cali, Colombia / 2022 i-Scholar at Franco Group - UofRochester / Ph.D. student Tempelaar Team Northwestern University

Luis Alejandro Sierra @ElAlejo2000

110 Followers 456 Following BSc Chemistry at Univalle in Cali, Colombia / 2022 i-Scholar at Franco Group - UofRochester / Ph.D. student Tempelaar Team Northwestern University

Imperfect Christ-follower desperately searching for truth, especially through science. Prof @Penn. Director @foldingathome. Legally blind. Father

Greg Bowman @drGregBowman

9K Followers 1K Following Imperfect Christ-follower desperately searching for truth, especially through science. Prof @Penn. Director @foldingathome. Legally blind. Father

We are a group of academic labs around the world that perform biomedical research using the computing power of volunteers | Join us at: https://t.co/H7f8sORsMs

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28K Followers 40 Following We are a group of academic labs around the world that perform biomedical research using the computing power of volunteers | Join us at: https://t.co/H7f8sORsMs

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Voth Group @VothGroup

1K Followers 47 Following We are a theoretical & computer simulation group, which studies biomolecular, condensed phase, quantum mechanical & materials systems @UChicago

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