computational chemistry
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What is computational chemistry?
Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and materials. Common applications include predicting molecular properties, simulating chemical reactions, and designing new materials.
What other technologies are related to computational chemistry?
computational chemistry Complementary Technologies
High-throughput Computation
No summary available
High-throughput computation is a method that accelerates computational chemistry research, complementing it by enabling rapid screening and analysis of numerous compounds or conditions.
cheminformatics
Cheminformatics is a field that uses computational and informational techniques to solve problems in chemistry. It is complementary to computational chemistry as it provides tools and methods for managing, analyzing, and visualizing chemical data, which can enhance computational chemistry workflows and analyses.
PyTorch
PyTorch is a machine learning framework that can be used within computational chemistry for tasks like property prediction or potential energy surface fitting, thus it is complementary. It can also be used to accelerate computations using GPUs.
Number of organizations that mention technology
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Which job functions commonly mention computational chemistry?
Biomedical Engineer
0.3% of all Biomedical Engineer jobs mention computational chemistry
View 17
jobs on Sumble
Chemist
0.2% of all Chemist jobs mention computational chemistry
View 124
jobs on Sumble
Research Scientist
0.1% of all Research Scientist jobs mention computational chemistry
View 40
jobs on Sumble
Scientist
0.1% of all Scientist jobs mention computational chemistry
View 155
jobs on Sumble
Researcher
75 Researcher jobs mention computational chemistry
View 75
jobs on Sumble
Which organizations are mentioning computational chemistry?
Pfizer
Manufacturing
Sanofi
Manufacturing
Takeda Pharmaceuticals
Manufacturing
AstraZeneca
Manufacturing
Universiteit van Amsterdam
Educational Services
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