Search research articles
Contact Us
Filters
Showing results (21-30 of 109) with videos related to
Page
of 11
Sort By:
Journal of Chemical Theory and Computation
|
April 8, 2016
A Stochastic, Resonance-Free Multiple Time-Step Algorithm for Polarizable Models That Permits Very Large Time Steps
Daniel T Margul, Mark E Tuckerman
The Journal of Physical Chemistry. B
|
April 16, 2009
Efficient and direct generation of multidimensional free energy surfaces via adiabatic dynamics without coordinate transformations
Jerry B Abrams, Mark E Tuckerman
The Journal of Physical Chemistry. A
|
February 7, 2009
Ab initio molecular dynamics studies of the liquid-vapor interface of an HCl solution
Hee-Seung Lee, Mark E Tuckerman
The Journal of Physical Chemistry. A
|
April 21, 2006
Ab initio molecular dynamics with discrete variable representation basis sets: techniques and application to liquid water
Hee-Seung Lee, Mark E Tuckerman
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 15, 2024
Polymorph sampling with coupling to extended variables: enhanced sampling of polymorph energy landscapes and free energy perturbation of polymorph ensembles
Eric J Chan, Mark E Tuckerman
Journal of the American Chemical Society
|
September 21, 2007
Role of surface dimer dynamics in creating ordered organic-semiconductor interfaces
Robin L Hayes, Mark E Tuckerman
Journal of Chemical Theory and Computation
|
November 21, 2015
Free Energy Reconstruction from Metadynamics or Adiabatic Free Energy Dynamics Simulations
Michel A Cuendet, Mark E Tuckerman
The Journal of Physical Chemistry. B
|
November 17, 2010
Enhanced conformational sampling of peptides via reduced side-chain and solvent masses
I-Chun Lin, Mark E Tuckerman
Journal of Chemical Theory and Computation
|
November 24, 2015
Alchemical Free Energy Differences in Flexible Molecules from Thermodynamic Integration or Free Energy Perturbation Combined with Driven Adiabatic Dynamics
Michel A Cuendet, Mark E Tuckerman
Physical Review Letters
|
January 11, 2020
Neural-Network-Based Path Collective Variables for Enhanced Sampling of Phase Transformations
Jutta Rogal, Elia Schneider, Mark E Tuckerman
Page
of 11
Search research articles
Search
Showing results (21-30 of 109) with videos related to
Sort By:
Page
of 11
Journal of Chemical Theory and Computation
|
April 8, 2016
A Stochastic, Resonance-Free Multiple Time-Step Algorithm for Polarizable Models That Permits Very Large Time Steps
Daniel T Margul, Mark E Tuckerman
The Journal of Physical Chemistry. B
|
April 16, 2009
Efficient and direct generation of multidimensional free energy surfaces via adiabatic dynamics without coordinate transformations
Jerry B Abrams, Mark E Tuckerman
The Journal of Physical Chemistry. A
|
February 7, 2009
Ab initio molecular dynamics studies of the liquid-vapor interface of an HCl solution
Hee-Seung Lee, Mark E Tuckerman
The Journal of Physical Chemistry. A
|
April 21, 2006
Ab initio molecular dynamics with discrete variable representation basis sets: techniques and application to liquid water
Hee-Seung Lee, Mark E Tuckerman
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 15, 2024
Polymorph sampling with coupling to extended variables: enhanced sampling of polymorph energy landscapes and free energy perturbation of polymorph ensembles
Eric J Chan, Mark E Tuckerman
Journal of the American Chemical Society
|
September 21, 2007
Role of surface dimer dynamics in creating ordered organic-semiconductor interfaces
Robin L Hayes, Mark E Tuckerman
Journal of Chemical Theory and Computation
|
November 21, 2015
Free Energy Reconstruction from Metadynamics or Adiabatic Free Energy Dynamics Simulations
Michel A Cuendet, Mark E Tuckerman
The Journal of Physical Chemistry. B
|
November 17, 2010
Enhanced conformational sampling of peptides via reduced side-chain and solvent masses
I-Chun Lin, Mark E Tuckerman
Journal of Chemical Theory and Computation
|
November 24, 2015
Alchemical Free Energy Differences in Flexible Molecules from Thermodynamic Integration or Free Energy Perturbation Combined with Driven Adiabatic Dynamics
Michel A Cuendet, Mark E Tuckerman
Physical Review Letters
|
January 11, 2020
Neural-Network-Based Path Collective Variables for Enhanced Sampling of Phase Transformations
Jutta Rogal, Elia Schneider, Mark E Tuckerman
Page
of 11