Adaptive and multiscale methods

H

M

M

 

 

 

M

M

M

M

M

Special bases

H

 

M

M

 

 

 

H

 

 

 

Differential geometry

 

M

 

 

 

M

M

 

M

H

H

Functional analysis

H

 

M

H

H

 

H

M

 

M

M

Graph theory

M

M

M

 

 

H

 

 

M

M

M

Group theory

H

 

M

 

M

M

 

M

M

 

M

Optimization

H

H

H

H

M

H

H

M

H

H

H

Numerical linear algebra

H

H

 

M

 

 

M

 

 

M

 

Number theory

 

 

M

 

 

 

 

M

 

M

 

Pattern recognition

M

M

H

 

 

H

 

M

H

H

H

Probability and statistics

H

 

H

 

M

H

 

M

H

H

H

Several complex variables

H

 

H

M

 

 

 

M

 

M

M

Topology

M

M

H

 

 

H

M

M

H

H

H

Dynamical systems

 

M

H

 

 

 

 

H

M

H

M

 

Quantum electronic structure

Molecular mechanics

Condensed-phase simulations

Density functionals

N-representability

Design of molecules

Construction of potential energy functions

Gas-phase dynamics

Polymers

Topography of potential energy surfaces

Biological macro-molecules (including protein folding)

FIGURE 4.1. Subjective assessment of depth of potential cross-fertilization between major areas of the mathematical sciences and theoretical and computational chemistry. An "H" implies an overlap that is clearly promising and an "M" suggests some synergy is likely.



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