Explore tweets tagged as #electronicstructurecalculation
#mdpientropy Read our Editor's Choice article: "Hybrid Quantum-Classical Neural Network for Calculating Ground State Energies of Molecules" by Rongxin Xia and Sabre Kais https://t.co/dVjwQ9UQK1
#quantumneuralnetwork #quantummachinelearning #electronicstructurecalculation
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Glad to share our new paper on Structure-based thermodynamics of ion selectivity in self-splicing RNA. #MDSimulation #ThermodynamicIntegration #RNA #Metalions #Selectivity #CompChem #AlchemicalTransformation #ElectronicStructureCalculation #PCCP #Share
https://t.co/mTIm8BocPZ
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Machine learning solves a long-standing DFT problem #DFT #DensityFunctionalTheory #QM #machinelearning #ElectronicStructureCalculation
https://t.co/if2Rp19Elv via @cenmag
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How are you enjoying the snow? This is an amazing shape. Can we model the surface? #snow #science #electronicstructurecalculation
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電子状態計算 https://t.co/mrSml7fMuF 電子状態計算（でんしじょうたいけいさん,Electronicstructurecalculation、電子構造計算とも言う）：結晶、表面、クラスター、分子（或いは高分子）、原子などの系の電子状態（電子構造）を求め...
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