Machine learning meets physics: A two-way street
Proceedings of the National Academy of Sciences,
Год журнала:
2024,
Номер
121(27)
Опубликована: Июнь 24, 2024
Emotions
coordinate
our
behavior
and
physiological
states
during
survival-salient
events
pleasurable
interactions.
Even
though
we
are
often
consciously
aware
of
current
emotional
state,
such
as
anger
or
happiness,
the
mechanisms
giving
...Emotions
felt
in
body,
somatosensory
feedback
has
been
proposed
to
trigger
conscious
experiences.
Here
reveal
maps
bodily
sensations
associated
with
different
emotions
using
a
unique
topographical
self-report
method.
In
...
Язык: Английский
Programming patchy particles for materials assembly design
Proceedings of the National Academy of Sciences,
Год журнала:
2024,
Номер
121(27)
Опубликована: Июнь 24, 2024
Direct
design
of
complex
functional
materials
would
revolutionize
technologies
ranging
from
printable
organs
to
novel
clean
energy
devices.
However,
even
incremental
steps
toward
designing
have
proven
challenging.
If
the
material
is
constructed
highly
components,
space
properties
rapidly
becomes
too
computationally
expensive
search.
On
other
hand,
very
simple
components
such
as
uniform
spherical
particles
are
not
powerful
enough
capture
rich
behavior.
Here,
we
introduce
a
differentiable
model
with
that
yet
properties:
rigid
bodies
composed
directional
interactions
(patchy
particles).
We
showcase
method
self-assembly
designs
open
lattices
self-limiting
clusters,
all
which
notoriously
challenging
goals
achieve
using
purely
isotropic
particles.
By
directly
optimizing
over
location
and
interaction
patches
on
patchy
gradient
descent,
dramatically
reduce
computation
time
for
finding
optimal
building
blocks.
Язык: Английский
Flexible interaction patches lead to building blocks with fluctuating valency
Nature Chemistry,
Год журнала:
2025,
Номер
17(3), С. 305 - 306
Опубликована: Фев. 27, 2025
Язык: Английский
Nonequilibrium Self-Assembly Control by the Stochastic Landscape Method
Journal of Chemical Information and Modeling,
Год журнала:
2025,
Номер
unknown
Опубликована: Апрель 8, 2025
Self-assembly
of
building
blocks
is
a
fundamental
process
in
nanotechnology,
materials
science,
and
biological
systems,
offering
pathways
to
the
formation
complex
functional
structures
through
local
interactions.
However,
lack
effective
error
correction
mechanisms
often
limits
efficiency
precision
assembly,
particularly
systems
with
strong
binding
energies.
Inspired
by
cellular
processes
stochastic
resetting,
we
present
closed-loop
feedback
control
method
that
employs
transient
modulations
interaction
energies,
mimicking,
for
instance,
global
effect
pH
changes
as
nonequilibrium
drives
optimize
assembly
outcomes
real
time.
By
leveraging
landscape
method,
framework
using
energy
trend-based
segmentation
predict
self-assembly
behavior,
our
approach
dynamically
analyzes
system's
state
trends
guide
actions.
We
show
modulation
during
kinetic
trapping
conditions
substantially
enhances
yields
reduces
times
across
diverse
scenarios.
This
strategy
provides
broadly
applicable,
data-driven
optimizing
processes,
potential
implications
manufacturing
responsive
design,
while
also
advancing
understanding
controlled
molecular
synthetic
contexts.
Язык: Английский
Tuning Colloidal Reactions
Physical Review Letters,
Год журнала:
2024,
Номер
133(22)
Опубликована: Ноя. 27, 2024
The
precise
control
of
complex
reactions
is
critical
for
biological
processes,
yet
our
inability
to
design
specific
outcomes
limits
the
development
synthetic
analogs.
Here,
we
leverage
differentiable
simulators
nontrivial
reaction
pathways
in
colloidal
assemblies.
By
optimizing
over
external
structures,
achieve
controlled
disassembly
and
particle
release
from
shells.
Lastly,
characterize
role
configurational
entropy
structure
via
both
forward
calculations
optimization,
inspiring
new
parameterizations
designed
reactions.
locked
icon
Physics
Subject
Headings
(PhySH)Applications
soft
matterOptimization
problemsColloidsMolecular
dynamics
Язык: Английский
Automating Blueprints for the Assembly of Colloidal Quasicrystal Clusters
ACS Nano,
Год журнала:
2024,
Номер
unknown
Опубликована: Дек. 20, 2024
One
of
the
frontiers
nanotechnology
is
advancing
beyond
periodic
self-assembly
materials.
Icosahedral
quasicrystals,
aperiodic
in
all
directions,
represent
one
most
challenging
targets
that
has
yet
to
be
experimentally
realized
at
colloidal
scale.
Previous
attempts
have
required
meticulous
human-designed
building
blocks
and
often
resulted
interactions
current
experimental
capabilities.
In
this
work,
we
introduce
a
framework
for
generating
accessible
designs
self-assemble
into
quasicrystalline
arrangements.
We
present
design
icosahedral
deoxyribonucleic
acid
(DNA)
origami
demonstrate,
through
molecular
simulations,
their
successful
assembly
target
structure.
Our
results
highlight
feasibility
using
automated
protocols
achieve
complex
patterns,
with
applications
material
science
nanotechnology.
Язык: Английский
Coarse-grained modeling of DNA-protein interactions helps elucidate DNA compaction
Biophysical Journal,
Год журнала:
2024,
Номер
123(18), С. 2961 - 2963
Опубликована: Авг. 5, 2024
Язык: Английский
Proofreading mechanism for colloidal self-assembly
Physical Review Research,
Год журнала:
2024,
Номер
6(4)
Опубликована: Дек. 9, 2024
Designing
components
that
can
robustly
self-assemble
into
structures
with
biological
complexity
is
a
grand
challenge
for
material
science.
Proofreading
and
error
correction
required
to
improve
assembly
yield
beyond
equilibrium
limits,
using
energy
avoid
kinetic
traps
in
the
landscape.
Here,
we
introduce
an
explicit
two-staged
proofreading
scheme
patchy
particle
colloidal
assemblies
substantially
improves
robustness.
The
first
stage
implements
local
rules
whereby
particles
increase
their
binding
strengths
when
they
detect
environment
corresponding
desired
target.
second
corrects
remaining
errors,
adding
reverse
pathway
inspired
by
proofreading.
shows
significant
improvements,
eliminating
traps,
giving
much
broader
temperature
range
high
yield.
Additionally,
robust
against
quenched
disorder
components.
Our
findings
illuminate
advancing
programmable
design
of
synthetic
living
materials,
potentially
fostering
synthesis
novel
materials
functional
behaviors.
Published
American
Physical
Society
2024
Язык: Английский