Tag: Computational chemistry

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Recent Related Articles to Computational chemistry

Discovery of structure–property relations for molecules via hypothesis-driven active learning ...

Added to Collection on: 2023-10-20 18:40:15

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Cheminformatics
Computational chemistry
Drug discovery
Medicinal chemistry
Quantitative structure?activity relationship
Chemical space

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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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Alphabet quantum spin-out Sandbox AQ acquires Good Chemistry - Yahoo News

Added to Collection on: 2024-01-10 19:01:39

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Quantum information science
Quantum programming
Quantum computing
Computational complexity theory
1QBit
Computational chemistry
Simulation
Sandbox game
Quantinuum
Good Chemistry

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PsiQuantum, Mitsubishi UFJ Financial Group and Mitsubishi Chemical Announce ... - MarketScreener

Added to Collection on: 2024-01-25 17:07:09

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Quantum computing
Quantum information science
Classes of computers
Models of computation
Quantum cryptography
PsiQuantum
UFJ
Mitsubishi UFJ Financial Group
Mitsubishi
Computational chemistry
Mitsubishi UFJ Financial Group Inc
PsiQuantum Corp.

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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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ViSNet: A general molecular geometry modeling framework for predicting molecular ... - Microsoft

Added to Collection on: 2024-03-01 08:33:27

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Computational chemistry
Molecular geometry
Molecular modelling
Chemistry
Matter
Molecule
Linear molecular geometry
Force field
Molecular dynamics
Chemical structure

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DeepSP: Deep Learning-Based Spatial Properties to Predict Monoclonal Antibody Stability

Added to Collection on: 2024-03-03 22:55:03

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Immunology
Computational chemistry
Antibody
Glycoproteins
Surrogate model
Molecular dynamics
Viscosity
Machine learning

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Schrödinger Hiring: Apply For a Life Science Education Specialist - BioTecNika

Added to Collection on: 2024-03-28 20:18:01

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Computational chemistry
Drug discovery
Medicinal chemistry
Molecular modelling
Cheminformatics
Erwin Schrödinger
Pharmacophore
Schrödinger, Inc.
Drug design
Docking
Molecular dynamics
Chemical Computing Group
Hyderabad

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Computing How Quantum States Overlap - Newswise

Added to Collection on: 2024-04-08 20:22:09

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Computational physics
Theoretical computer science
Quantum chemistry
Statistical mechanics
Quantum computing
Monte Carlo method
Quantum Monte Carlo
Quantum mechanics
Many-body problem
Machine learning in physics
Computational chemistry

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Analytica 2024: The Latest Applications in Chemometrics

Added to Collection on: 2024-04-10 21:57:48

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Computational chemistry
Analytical chemistry
Cheminformatics
Chemometrics
Metrics
Calibration
Mass spectrometry
Gas chromatography

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