Matthew W Thompson
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Explore the profile of Matthew W Thompson including associated specialties, affiliations and a list of published articles.
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13
Citations
110
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Recent Articles
1.
Wang L, Behara P, Thompson M, Gokey T, Wang Y, Wagner J, et al.
J Phys Chem B
. 2024 Jul;
128(29):7043-7067.
PMID: 38989715
Force fields are a key component of physics-based molecular modeling, describing the energies and forces in a molecular system as a function of the positions of the atoms and molecules...
2.
Setiadi J, Boothroyd S, Slochower D, Dotson D, Thompson M, Wagner J, et al.
J Chem Theory Comput
. 2023 Dec;
20(1):239-252.
PMID: 38147689
Software to more rapidly and accurately predict protein-ligand binding affinities is of high interest for early-stage drug discovery, and physics-based methods are among the most widely used technologies for this...
3.
Boothroyd S, Behara P, Madin O, Hahn D, Jang H, Gapsys V, et al.
J Chem Theory Comput
. 2023 May;
19(11):3251-3275.
PMID: 37167319
We introduce the Open Force Field (OpenFF) 2.0.0 small molecule force field for drug-like molecules, code-named Sage, which builds upon our previous iteration, Parsley. OpenFF force fields are based on...
4.
Chen Z, Li Z, Zhao W, Matsumoto R, Thompson M, Morales-Collazo O, et al.
Langmuir
. 2022 Mar;
38(13):4036-4047.
PMID: 35313730
The molecular-level orientation and structure of ionic liquids (ILs) at liquid-solid interfaces are significantly different than in the bulk. The interfacial ordering influences both IL properties, such as dielectric constants...
5.
Zaman W, Matsumoto R, Thompson M, Liu Y, Bootwala Y, Dixit M, et al.
Proc Natl Acad Sci U S A
. 2021 Nov;
118(49).
PMID: 34845014
A continuum of water populations can exist in nanoscale layered materials, which impacts transport phenomena relevant for separation, adsorption, and charge storage processes. Quantification and direct interrogation of water structure...
6.
Matsumoto R, Thompson M, Vuong V, Zhang W, Shinohara Y, van Duin A, et al.
J Chem Theory Comput
. 2021 Sep;
17(10):5992-6005.
PMID: 34516134
We present molecular-simulation-based calculations of the Van Hove correlation function (VHF) of water using multiple modeling approaches: classical molecular dynamics with simple three-site nonpolarizable models, with a polarizable model, and...
7.
Thompson M, Gilmer J, Matsumoto R, Quach C, Shamaprasad P, Yang A, et al.
Mol Phys
. 2020 Oct;
118(9-10).
PMID: 33100401
Systems composed of soft matter (e.g., liquids, polymers, foams, gels, colloids, and most biological materials) are ubiquitous in science and engineering, but molecular simulations of such systems pose particular computational...
8.
Shinohara Y, Matsumoto R, Thompson M, Ryu C, Dmowski W, Iwashita T, et al.
J Phys Chem Lett
. 2019 Nov;
10(22):7119-7125.
PMID: 31693369
Electrolyte solutions are ubiquitous in materials in daily use and in biological systems. However, the understanding of their molecular and ionic dynamics, particularly those of their correlated motions, are elusive...
9.
Matsumoto R, Thompson M, Cummings P
J Phys Chem B
. 2019 Oct;
123(46):9944-9955.
PMID: 31661280
The dissolution of room temperature ionic liquids (RTILs) in organic solvents has been shown to enhance ion dynamics. We previously used molecular dynamics (MD) simulations to study the ionic liquid...
10.
Thompson M, Matsumoto R, Sacci R, Sanders N, Cummings P
J Phys Chem B
. 2019 Jan;
123(6):1340-1347.
PMID: 30652873
Room-temperature ionic liquids (RTILs) are a class of organic salts that are liquid at room temperature. Their physiochemical properties, including low vapor pressure and wide electrochemical stability window, have driven...