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Kristen A. Fichthorn
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Journal Articles

Diffusion growth mechanism of penta-twinned Ag nanocrystals from decahedral seeds

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Jianming Cui, Saksham Phul, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 164707 (2023)
https://doi.org/10.1063/5.0146305
Published: April 2023
View articletitled, Diffusion growth mechanism of penta-twinned Ag nanocrystals from decahedral seeds
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Includes: Supplementary data
Journal Articles

OptiBoost: A method for choosing a safe and efficient boost for the bond-boost method in accelerated molecular dynamics simulations with hyperdynamics

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Jianming Cui, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 204107 (2022)
https://doi.org/10.1063/5.0088521
Published: May 2022
View articletitled, OptiBoost: A method for choosing a safe and efficient boost for the bond-boost method in accelerated molecular dynamics simulations with hyperdynamics
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Journal Articles

Development and initial applications of an e-ReaxFF description of Ag nanoclusters

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Benjamin Evangelisti, Kristen A. Fichthorn, Adri C. T. van Duin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 104106 (2020)
https://doi.org/10.1063/5.0018971
Published: September 2020
View articletitled, Development and initial applications of an e-ReaxFF description of Ag nanoclusters
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Includes: Supplementary data
Journal Articles

Surface science of shape-selective metal nanocrystal synthesis from first-principles: Growth of Cu nanowires and nanocubes

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Kristen A. Fichthorn, Zihao Chen
Journal: Journal of Vacuum Science & Technology A
J. Vac. Sci. Technol. A 38, 023210 (2020)
https://doi.org/10.1116/1.5141995
Published: February 2020
View articletitled, Surface science of shape-selective metal nanocrystal synthesis from first-principles: Growth of Cu nanowires and nanocubes
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Journal Articles

The diffusion of a Ga atom on GaAs(001)β2(2 × 4): Local superbasin kinetic Monte Carlo

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Yangzheng Lin, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 152711 (2017)
https://doi.org/10.1063/1.4995425
Published: August 2017
View articletitled, The diffusion of a Ga atom on GaAs(001)β2(2 × 4): Local superbasin kinetic Monte Carlo
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Journal Articles

Obtaining the solid-liquid interfacial free energy via multi-scheme thermodynamic integration: Ag-ethylene glycol interfaces

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Xin Qi, Ya Zhou, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 194108 (2016)
https://doi.org/10.1063/1.4967521
Published: November 2016
View articletitled, Obtaining the solid-liquid interfacial free energy via multi-scheme thermodynamic integration: Ag-ethylene glycol interfaces
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Includes: Supplementary data
Journal Articles

Predicting kinetic nanocrystal shapes through multi-scale theory and simulation: Polyvinylpyrrolidone-mediated growth of Ag nanocrystals

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Tonnam Balankura, Xin Qi, Ya Zhou, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 144106 (2016)
https://doi.org/10.1063/1.4964297
Published: October 2016
View articletitled, Predicting kinetic nanocrystal shapes through multi-scale theory and simulation: Polyvinylpyrrolidone-mediated growth of Ag nanocrystals
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Includes: Supplementary data
Journal Articles

A local superbasin kinetic Monte Carlo method

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Kristen A. Fichthorn, Yangzheng Lin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 138, 164104 (2013)
https://doi.org/10.1063/1.4801869
Published: April 2013
View articletitled, A local superbasin kinetic Monte Carlo method
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Journal Articles

Entropic forces and directed alignment of hard squares in suspensions of rods and disks

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Derek A. Triplett, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 133, 144910 (2010)
https://doi.org/10.1063/1.3503975
Published: October 2010
View articletitled, Entropic forces and directed alignment of hard squares in suspensions of rods and disks
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Journal Articles

Communication: Molecular dynamics simulations of the interfacial structure of alkali metal fluoride solutions

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Haijun Feng, Jian Zhou, Xiaohua Lu, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 133, 061103 (2010)
https://doi.org/10.1063/1.3478520
Published: August 2010
View articletitled, Communication: Molecular dynamics simulations of the interfacial structure of alkali metal fluoride solutions
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Journal Articles

Interaction of fluids with physically patterned solid surfaces

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Hongfei Wu, Ali Borhan, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 133, 054704 (2010)
https://doi.org/10.1063/1.3464484
Published: August 2010
View articletitled, Interaction of fluids with physically patterned solid surfaces
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Journal Articles

Molecular dynamics simulation of the forces between colloidal nanoparticles in n -decane solvent

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Yong Qin, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 127, 144911 (2007)
https://doi.org/10.1063/1.2776259
Published: October 2007
View articletitled, Molecular dynamics simulation of the forces between colloidal nanoparticles in n -decane solvent
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Journal Articles

Accelerated molecular dynamics simulation of the thermal desorption of n -alkanes from the basal plane of graphite

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Kelly E. Becker, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 125, 184706 (2006)
https://doi.org/10.1063/1.2364894
Published: November 2006
View articletitled, Accelerated molecular dynamics simulation of the thermal desorption of n -alkanes from the basal plane of graphite
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Journal Articles

Molecular dynamics simulation of nanodroplet spreading enhanced by linear surfactants

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Hye-Young Kim, Yong Qin, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 125, 174708 (2006)
https://doi.org/10.1063/1.2364484
Published: November 2006
View articletitled, Molecular dynamics simulation of nanodroplet spreading enhanced by linear surfactants
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Journal Articles

Molecular dynamics simulation of amphiphilic dimers at a liquid-vapor interface

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Hye-Young Kim, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 122, 034704 (2005)
https://doi.org/10.1063/1.1839171
Published: December 2004
View articletitled, Molecular dynamics simulation of amphiphilic dimers at a liquid-vapor interface
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Journal Articles

Molecular-dynamics simulation of forces between nanoparticles in a Lennard-Jones liquid

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Yong Qin, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 119, 9745–9754 (2003)
https://doi.org/10.1063/1.1615493
Published: November 2003
View articletitled, Molecular-dynamics simulation of forces between nanoparticles in a Lennard-Jones liquid
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Journal Articles

Accelerated molecular dynamics with the bond-boost method

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Radu A. Miron, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 119, 6210–6216 (2003)
https://doi.org/10.1063/1.1603722
Published: September 2003
View articletitled, Accelerated molecular dynamics with the bond-boost method
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Journal Articles

Molecular dynamics studies of the effects of chain branching on the properties of confined alkanes

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Jee-Ching Wang, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 116, 410–417 (2002)
https://doi.org/10.1063/1.1419258
Published: January 2002
View articletitled, Molecular dynamics studies of the effects of chain branching on the properties of confined alkanes
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Journal Articles

The Step and Slide method for finding saddle points on multidimensional potential surfaces

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Radu A. Miron, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 115, 8742–8747 (2001)
https://doi.org/10.1063/1.1412285
Published: November 2001
View articletitled, The Step and Slide method for finding saddle points on multidimensional potential surfaces
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Journal Articles

A method for molecular dynamics simulation of confined fluids

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Jee-Ching Wang, Kristen A. Fichthorn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 112, 8252–8259 (2000)
https://doi.org/10.1063/1.481430
Published: May 2000
View articletitled, A method for molecular dynamics simulation of confined fluids
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