#ICYMI: By combining #DensityFunctionalTheory and machine-learned potentials, researchers identify K5YSi4O12 as a promising candidate for potassium-ion solid electrolyte thanks to its exceptional ionic conductivity and compatibility with metal anodes. https://t.co/TuSF6hDIsR

Me explaining #timedependent #DensityFunctionalTheory #tdDFT advancing #UltrafastMagnetism when it comes to #Attoseconds. No yoga 🧘‍♂️

Everything ready to start tomorrow with @DFT2022BXL. Let's go! #densityFUNctionaltheory

NITheCS Quantum Seminar: ‘From Atoms to Surfaces: DFT Insights into Catalytic & Reactive Surfaces & Interfaces' – Dr David Tshwane (NITheCS Associate) - Fri, 22 Aug @ 14h00. https://t.co/DnAghMpm9G #MaterialDesign #ComputationalModelling #DensityFunctionalTheory #Mathematics

Walter Kohn was born on this day in 1923. #WalterKohn #physics #chemistry #ElectronicProperties #DensityFunctionalTheory #QuantumMechanics #NobelPrize #NobelPrizeWinners #science #ScienceHistory #ScienceBirthdays #OnThisDay #OnThisDayInScienceHistory

#cms_2019 - what a blast! 💥 https://t.co/S89v3tdOms You can get the group picture 📷 at https://t.co/McKrg5m3Nf #MolecularSimulations #MachineLearning #CompChem #DensityFunctionalTheory

Autonomous Discovery of Materials for Intercalation Electrodes by @ivano_castelli @TVegge @JuanMaraGarcaL1 @DTUEnergy #DensityFunctionalTheory #MagnesiumBatteries

👉 Read our latest #reviewarticle by Dr. Shiyu Fu: Computer #simulation in #lignocellulosic #biomass conversion processes. https://t.co/M8WddLMVPB #BioResJournal #BiomassConversion #MolecularDynamics #DensityFunctionalTheory #pyrolysis #cellulose #lignin #hemicellulose #biofuels

Property Map Collective Variable as a Useful Tool for a Force Field Correction #molecularsimulations #DensityFunctionalTheory #DFT https://t.co/cvEpP464dd @spiwokv #current_issue #compchem

#GalliumNitride (GaN) Nanostructures and Their Gas Sensing Properties: A Review https://t.co/oA4goDwIyG #GaN #GasSensing #DensityFunctionalTheory #IoT #MachineLearning

Join us for day 2 of the PARADIM'S DFT Summer School, lectures available on https://t.co/IS3YoDFPK3 or Register to join on zoom: https://t.co/zWrvRTeYF9 @betul_pamuk #DensityFunctionalTheory #DFT

Editors' suggestion: Neural density functionals: Local learning and pair-correlation matching, Florian Sammüller and Matthias Schmidt #DensityFunctionalTheory @unibt https://t.co/vxIUdwa2eW

Optical Absorption and Reflectivity of a Molecular Cluster of Lithium Niobate Adsorbed on a Graphene Layer https://t.co/lef1j7stH4 #DensityFunctionalTheory

Predicting crowd behavior using physics theory #crowdbehavior #densityfunctionaltheory #Cornell https://t.co/6d3DW39YR4

Calzado et al. @unisevilla use #DensityFunctionalTheory to investigate spin states in breathing copper complexes https://t.co/Cchb95MoJj

#mdpientropy Top Cited Paper : "Impact of Chemical Fluctuations on Stacking Fault Energies of CrCoNi and CrMnFeCoNi High Entropy Alloys from First Principles" https://t.co/0KNEwOTGmW #highentropyalloy #densityfunctionaltheory

#mdpimolecules Improved Predictive Tools for Structural Properties of Metal–Organic Frameworks https://t.co/5yFlOvw3zy #densityfunctionaltheory #metalorganicframeworks #structuralproperties

#FeaturePaper Elucidating the Influence of #Electric #Fields toward #CO2 Activation on #YSZ (111) 📝by Nisa Ulumuddin, Fanglin Che, Jung-Il Yang, Su Ha and Jean-Sabin McEwen. 👉 https://t.co/2EGyxBP0Hp #catalysis #densityfunctionaltheory

Stochastic density functional theory combined with Langevin dynamics for warm dense matter, Rebecca Efrat Hadad, Argha Roy, Eran Rabani, Ronald Redmer, and Roi Baer #DensityFunctionalTheory https://t.co/TKrgnDNF3u

#mdpisensors Editors selection in #SpecialIssue "Gas Sensors and Smart Sensing Systems" Recent Advances in #ElectrochemicalSensors for Detecting Toxic Gases: NO2, SO2 and H2S https://t.co/qzR6CcbdA9 #GasSensor #NO2 #SO2 #H2S; #DensityFunctionalTheory #DFT #InternetOfThings #IoT