Detalhe da pesquisa
1.
In situ investigation of water on MXene interfaces.
Proc Natl Acad Sci U S A
; 118(49)2021 12 07.
Artigo
Inglês
| MEDLINE | ID: mdl-34845014
2.
MoSDeF-GOMC: Python Software for the Creation of Scientific Workflows for the Monte Carlo Simulation Engine GOMC.
J Chem Inf Model
; 63(4): 1218-1228, 2023 02 27.
Artigo
Inglês
| MEDLINE | ID: mdl-36791286
3.
Investigation of Multilayered Structures of Ionic Liquids on Graphite and Platinum Using Atomic Force Microscopy and Molecular Simulations.
Langmuir
; 38(13): 4036-4047, 2022 Apr 05.
Artigo
Inglês
| MEDLINE | ID: mdl-35313730
4.
High-throughput screening of tribological properties of monolayer films using molecular dynamics and machine learning.
J Chem Phys
; 156(15): 154902, 2022 Apr 21.
Artigo
Inglês
| MEDLINE | ID: mdl-35459321
5.
MoSDeF Cassandra: A complete Python interface for the Cassandra Monte Carlo software.
J Comput Chem
; 42(18): 1321-1331, 2021 07 05.
Artigo
Inglês
| MEDLINE | ID: mdl-33931885
6.
A mathematical model for Escherichia coli chemotaxis to competing stimuli.
Biotechnol Bioeng
; 118(12): 4678-4686, 2021 12.
Artigo
Inglês
| MEDLINE | ID: mdl-34463958
7.
Integral equation theory for mixtures of spherical and patchy colloids. 2. Numerical results.
Soft Matter
; 17(12): 3513-3519, 2021 Mar 28.
Artigo
Inglês
| MEDLINE | ID: mdl-33662078
8.
Integral equation theory for a mixture of spherical and patchy colloids: analytical description.
Soft Matter
; 16(14): 3456-3465, 2020 Apr 14.
Artigo
Inglês
| MEDLINE | ID: mdl-32201867
9.
Investigating Alkylsilane Monolayer Tribology at a Single-Asperity Contact with Molecular Dynamics Simulation.
Langmuir
; 33(42): 11270-11280, 2017 10 24.
Artigo
Inglês
| MEDLINE | ID: mdl-28915731
10.
Melting upon cooling and freezing upon heating: fluid-solid phase diagram for Svejk-Hasek model of dimerizing hard spheres.
Soft Matter
; 13(6): 1156-1160, 2017 Feb 08.
Artigo
Inglês
| MEDLINE | ID: mdl-28097283
11.
Influence of Surface Morphology on the Shear-Induced Wear of Alkylsilane Monolayers: Molecular Dynamics Study.
Langmuir
; 32(10): 2348-59, 2016 Mar 15.
Artigo
Inglês
| MEDLINE | ID: mdl-26885941
12.
Enhancing graphene capacitance by nitrogen: effects of doping configuration and concentration.
Phys Chem Chem Phys
; 18(6): 4668-74, 2016 Feb 14.
Artigo
Inglês
| MEDLINE | ID: mdl-26794824
13.
Molecular mechanics of the cooperative adsorption of a Pro-Hyp-Gly tripeptide on a hydroxylated rutile TiO2(110) surface mediated by calcium ions.
Phys Chem Chem Phys
; 18(29): 19757-64, 2016 Jul 20.
Artigo
Inglês
| MEDLINE | ID: mdl-27383367
14.
A DFT study of water adsorption on rutile TiO2 (110) surface: The effects of surface steps.
J Chem Phys
; 145(4): 044702, 2016 Jul 28.
Artigo
Inglês
| MEDLINE | ID: mdl-27475381
15.
A computational study of dicationic ionic liquids/CO2 interfaces.
Langmuir
; 31(8): 2447-54, 2015 Mar 03.
Artigo
Inglês
| MEDLINE | ID: mdl-25664401
16.
Molecular dynamics study of alkylsilane monolayers on realistic amorphous silica surfaces.
Langmuir
; 31(10): 3086-93, 2015 Mar 17.
Artigo
Inglês
| MEDLINE | ID: mdl-25720502
17.
Tunable transition from hydration to monomer-supported lubrication in zwitterionic monolayers revealed by molecular dynamics simulation.
Soft Matter
; 11(17): 3340-6, 2015 May 07.
Artigo
Inglês
| MEDLINE | ID: mdl-25790338
18.
Thickness-dependent structural arrangement in nano-confined imidazolium-based ionic liquid films.
Phys Chem Chem Phys
; 17(6): 4152-9, 2015 Feb 14.
Artigo
Inglês
| MEDLINE | ID: mdl-25563888
19.
Examination of the phase transition behavior of nano-confined fluids by statistical temperature molecular dynamics.
J Chem Phys
; 143(5): 054504, 2015 Aug 07.
Artigo
Inglês
| MEDLINE | ID: mdl-26254658
20.
Examining the aggregation behavior of polymer grafted nanoparticles using molecular simulation and theory.
J Chem Phys
; 143(5): 054904, 2015 Aug 07.
Artigo
Inglês
| MEDLINE | ID: mdl-26254667