Machine learning on neutron and x-ray scattering and spectroscopies

Z Chen, N Andrejevic, NC Drucker, T Nguyen… - Chemical Physics …, 2021 - pubs.aip.org
Neutron and x-ray scattering represent two classes of state-of-the-art materials
characterization techniques that measure materials structural and dynamical properties with …

All-Atom Biomolecular Simulation in the Exascale Era

TL Beck, P Carloni, DN Asthagiri - Journal of Chemical Theory and …, 2024 - ACS Publications
Exascale supercomputers have opened the door to dynamic simulations, facilitated by AI/ML
techniques, that model biomolecular motions over unprecedented length and time scales …

Hybrid biopolymer and lipid nanoparticles with improved transfection efficacy for mRNA

CD Siewert, H Haas, V Cornet, SS Nogueira… - Cells, 2020 - mdpi.com
Hybrid nanoparticles from lipidic and polymeric components were assembled to serve as
vehicles for the transfection of messenger RNA (mRNA) using different portions of the …

Cellulose nano-films as bio-interfaces

VS Raghuwanshi, G Garnier - Frontiers in chemistry, 2019 - frontiersin.org
Cellulose, the most abundant polymer on earth, has enormous potential in develo** bio-
friendly, and sustainable technological products. In particular, cellulose films of nanoscale …

The dynamic face of lipid membranes

S Gupta, R Ashkar - Soft Matter, 2021 - pubs.rsc.org
Cell membranes–primarily composed of lipids, sterols, and proteins–form a dynamic
interface between living cells and their environment. They act as a mechanical barrier …

Visualization of Self-Assembly and Hydration of a β-Hairpin through Integrated Small and Wide-Angle Neutron Scattering

H Laurent, MDG Hughes, M Walko… - …, 2023 - ACS Publications
Fundamental understanding of the structure and assembly of nanoscale building blocks is
crucial for the development of novel biomaterials with defined architectures and function …

Absorption of the [bmim][Cl] ionic liquid in DMPC lipid bilayers across their gel, ripple, and fluid phases

A Benedetto, EG Kelley - The Journal of Physical Chemistry B, 2022 - ACS Publications
Lipid bilayers are a key component of cell membranes and play a crucial role in life and in
bio-nanotechnology. As a result, controlling their physicochemical properties holds the …

[HTML][HTML] Cinematic reflectometry using QIKR, the quite intense kinetics reflectometer

JF Ankner, R Ashkar, JF Browning… - Review of Scientific …, 2023 - pubs.aip.org
The Quite Intense Kinetics Reflectometer (QIKR) will be a general-purpose, horizontal-
sample-surface neutron reflectometer. Reflectometers measure the proportion of an incident …

[HTML][HTML] CHESS: The future direct geometry spectrometer at the second target station

G Sala, M Mourigal, C Boone, NP Butch… - Review of Scientific …, 2022 - pubs.aip.org
CHESS, chopper spectrometer examining small samples, is a planned direct geometry
neutron chopper spectrometer designed to detect and analyze weak signals intrinsic to …

[HTML][HTML] EXPANSE: A time-of-flight expanded angle neutron spin echo spectrometer at the Second Target Station of the Spallation Neutron Source

C Do, R Ashkar, C Boone, WR Chen… - Review of Scientific …, 2022 - pubs.aip.org
EXPANSE, an EXPanded Angle Neutron Spin Echo instrument, has been proposed and
selected as one of the first suite of instruments to be built at the Second Target Station of the …