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Quantum Mechanical Simulations
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Summary
Quantum Mechanical Simulations
apply the
Principles Of Quantum Mechanics
to model and predict the behavior of
Molecular systems
on an
Atomic scale
, offering insights into
Chemical Reactions
,
Material Properties
, and
Biological Processes
. These simulations are crucial for understanding systems that are too complex or microscopic for
Traditional experimental approaches
.
Concepts
Quantum Mechanics
Wave Function
Schrodinger Equation
Density Functional Theory
Molecular Dynamics
Quantum Chemistry
Quantum Monte Carlo
Ab Initio Methods
Computational Chemistry
Particle-wave Duality
Machine learning in materials science
Relevant Degrees
Nuclear Physics 77%
Programming and Computer Programs 23%
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