Software – Katharine Mullen

OPTIMIZATION

minpack.lm

DEoptim

ALS

nnls

bvls

minqa

globalOptTests

RcppDE

lbfgs

TIMP

Glotaran

CRYSTALLOGRAPHY

nanop

BIOLOGY AND BIOCHEMISTRY

FluxSimulator

OrgMassSpecR

cellVolumeDist

I also maintain the Comprehensive R Archive Network Task View on Chemometrics and Computational Physics.