Detalhe da pesquisa
1.
Ideal conductor/dielectric model (ICDM): A generalized technique to correct for finite-size effects in molecular simulations of hindered ion transport.
J Chem Phys
; 160(2)2024 Jan 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38197447
2.
How to quantify and avoid finite size effects in computational studies of crystal nucleation: The case of homogeneous crystal nucleation.
J Chem Phys
; 156(5): 054503, 2022 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-35135272
3.
Role of Nanoscale Interfacial Proximity in Contact Freezing in Water.
J Am Chem Soc
; 143(5): 2272-2284, 2021 02 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-33507741
4.
How to quantify and avoid finite size effects in computational studies of crystal nucleation: The case of heterogeneous ice nucleation.
J Chem Phys
; 154(1): 014108, 2021 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33412862
5.
Single crystal texture by directed molecular self-assembly along dual axes.
Nat Mater
; 18(11): 1235-1243, 2019 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-31209387
6.
Studying rare events using forward-flux sampling: Recent breakthroughs and future outlook.
J Chem Phys
; 152(6): 060901, 2020 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-32061206
7.
Computational investigation of surface freezing in a molecular model of water.
Proc Natl Acad Sci U S A
; 114(13): 3316-3321, 2017 03 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-28292905
8.
Effect of material flexibility on the thermodynamics and kinetics of hydrophobically induced evaporation of water.
Proc Natl Acad Sci U S A
; 114(13): E2548-E2555, 2017 03 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-28289194
9.
Thermodynamically driven assemblies and liquid-liquid phase separations in biology.
Soft Matter
; 15(6): 1135-1154, 2019 Feb 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-30672955
10.
Forward-flux sampling with jumpy order parameters.
J Chem Phys
; 149(7): 072303, 2018 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30134716
11.
Forward flux sampling calculation of homogeneous nucleation rates from aqueous NaCl solutions.
J Chem Phys
; 148(4): 044505, 2018 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-29390820
12.
Direct calculation of ice homogeneous nucleation rate for a molecular model of water.
Proc Natl Acad Sci U S A
; 112(34): 10582-8, 2015 Aug 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-26240318
13.
Perspective: Surface freezing in water: A nexus of experiments and simulations.
J Chem Phys
; 147(6): 060901, 2017 Aug 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-28810776
14.
Computational investigation of structure, dynamics and nucleation kinetics of a family of modified Stillinger-Weber model fluids in bulk and free-standing thin films.
Phys Chem Chem Phys
; 18(5): 4102-11, 2016 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-26778494
15.
Disordered, quasicrystalline and crystalline phases of densely packed tetrahedra.
Nature
; 462(7274): 773-7, 2009 Dec 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-20010683
16.
Thermodynamic and kinetic anisotropies in octane thin films.
J Chem Phys
; 143(21): 214501, 2015 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-26646882
17.
Suppression of sub-surface freezing in free-standing thin films of a coarse-grained model of water.
Phys Chem Chem Phys
; 16(47): 25916-27, 2014 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-25354427
18.
The effect of substrate on thermodynamic and kinetic anisotropies in atomic thin films.
J Chem Phys
; 141(2): 024506, 2014 Jul 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-25028026
19.
Rating antifreeze proteins: Not a breeze.
Proc Natl Acad Sci U S A
; 113(14): 3714-6, 2016 Apr 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-27035992
20.
Estimating Position-Dependent and Anisotropic Diffusivity Tensors from Molecular Dynamics Trajectories: Existing Methods and Future Outlook.
J Chem Theory Comput
; 20(11): 4427-4455, 2024 Jun 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-38815171