Marcadores
svetlana gelpi-dominguez
svetlana gelpi
density functional theory
ab initio
lawrence livermore national laboratory
first principles
1h nmr
gold nanoclusters
gold monolayer protected clusters
mpcs
monolayer protected clusters
python
chembl
molecular mechanics
atb
moe
molecular descriptors
heats of formation
energetic materials
chemistry
comprehensive exam
oral comprehensive exam
general exam
proposal
ani-1
animals
anakin-me
secondary explosives
explosives
high energy density materials
neural networks
machine learning
materials studio
accelerys materials studio
utep
mos2/co9s8
mos2
transition states
vasp
functionals
exchange correlation
many body corrections
van der waals
molecular dynamics
structure
water
diastereotopic
catalysis
protein bioconjugation
perl
qm/mm
nmr
forc field
uv vis
mass spectroscopy
doping
nanoclusters
quantum chemistry
descriptor
rdkit
high performance computing
medicinal chemistry
drug discovery
descriptors
Ver mais
Apresentações
(7)Gostaram
(1)Development of a Machine Learning Algorithm for High Energy Density Materials
Svetlana Gelpi
•
Há 4 anos
Marcadores
svetlana gelpi-dominguez
svetlana gelpi
density functional theory
ab initio
lawrence livermore national laboratory
first principles
1h nmr
gold nanoclusters
gold monolayer protected clusters
mpcs
monolayer protected clusters
python
chembl
molecular mechanics
atb
moe
molecular descriptors
heats of formation
energetic materials
chemistry
comprehensive exam
oral comprehensive exam
general exam
proposal
ani-1
animals
anakin-me
secondary explosives
explosives
high energy density materials
neural networks
machine learning
materials studio
accelerys materials studio
utep
mos2/co9s8
mos2
transition states
vasp
functionals
exchange correlation
many body corrections
van der waals
molecular dynamics
structure
water
diastereotopic
catalysis
protein bioconjugation
perl
qm/mm
nmr
forc field
uv vis
mass spectroscopy
doping
nanoclusters
quantum chemistry
descriptor
rdkit
high performance computing
medicinal chemistry
drug discovery
descriptors
Ver mais