Tag: Theoretical chemistry

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Toward a quantum computer that calculates molecular energy - EurekAlert!

Added to Collection on: 2022-03-17 02:04:08

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Academic disciplines
Theoretical computer science
Articles
Quantum information science
Quantum computing
Emerging technologies
Theoretical chemistry
Qubit
Quantum Monte Carlo
Quantum chemistry
Quantum information
Computational chemistry
Joonho Lee

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Quantum Computing Algorithm Could Lead to Design of New Materials - Unite.AI

Added to Collection on: 2022-03-26 20:16:50

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Academic disciplines
Articles
Theoretical computer science
Quantum information science
Emerging technologies
Quantum computing
Theoretical chemistry
Computational chemistry
Quantum information
Qubit
Quantum chemistry
Quantum mechanics
Joonho Lee

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Tamir Gonen | Nature Methods

Added to Collection on: 2022-05-30 17:30:31

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Electron microscopy
Microcrystal electron diffraction
Theoretical chemistry
Computational chemistry
Ab initio
Academic disciplines

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Aalto University: New LOLS machine learning approach facilitates molecular conformer ...

Added to Collection on: 2022-08-25 10:10:09

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Physical sciences
Chemistry
Natural sciences
Theoretical chemistry
Stereochemistry
Physical organic chemistry
Conformational isomerism
Isomerism
Computational chemistry
Quantum chemistry

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CSU chemists share in $20 million award for NSF Center for Computer-Assisted Synthesis

Added to Collection on: 2022-08-25 21:29:32

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Physical sciences
Computational chemistry
Theoretical chemistry
Paton
Chemistry

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New chemistry toolkit speeds analyses of molecules in solution - Emory News Center

Added to Collection on: 2022-11-29 06:27:20

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Physical sciences
Natural sciences
Chemistry
Nature
Molecule
Quantum chemistry
Chemical physics
Theoretical chemistry
Properties of water
Chemical reaction
Computational chemistry
Solvent model
Fang Liu

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Bayer to work with Google Cloud on accelerating drug discovery - Intelligent CIO

Added to Collection on: 2023-01-12 20:39:27

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Articles
Natural sciences
Physical sciences
Theoretical chemistry
Quantum mechanics
Quantum chemistry
Bayer
Digital transformation
Pharmaceutical industry in China
TensorFlow
Google
Bayer AG

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Bayer taps Google's quantum power for drug discovery - - Pharmaphorum

Added to Collection on: 2023-01-12 18:03:48

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Natural sciences
Academic disciplines
Chemistry
Emerging technologies
Theoretical chemistry
Computational complexity theory
Information theory
Quantum computing
Theoretical computer science
In silico
Quantum chemistry
Bayer
Google

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Computational scientists generate molecular datasets at extreme scale - Newswise

Added to Collection on: 2023-12-20 18:17:00

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Theoretical chemistry
Molecular physics
Physical chemistry
Computational chemistry
Matter
Molecule
Oak Ridge National Laboratory
Molecular orbital
Tennessine
Quantum chemistry
Chemistry

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Exploration of the mechanical properties of carbon-incorporated amorphous silica using a ...

Added to Collection on: 2024-02-22 12:37:25

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Theoretical chemistry
Computational chemistry
Computational neuroscience
Market research
Mathematical psychology
Neural network
Ab initio quantum chemistry methods
Interatomic potential
Density functional theory

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