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The Journal of Chemical Physics
|
January 10, 2019
ODE integration schemes for plane-wave real-time time-dependent density functional theory
Daniel A Rehn, Yuan Shen, Marika E Buchholz, et al.
The Journal of Physical Chemistry Letters
|
November 28, 2018
Revealing the Spectrum of Unknown Layered Materials with Superhuman Predictive Abilities
Gowoon Cheon, Ekin D Cubuk, Evan R Antoniuk, et al.
The Journal of Physical Chemistry. A
|
October 8, 2013
Comparison of ReaxFF, DFTB, and DFT for phenolic pyrolysis. 2. Elementary reaction paths
Charles W Bauschlicher, Tingting Qi, Evan J Reed, et al.
The Journal of Physical Chemistry. A
|
February 9, 2019
Transferable Kinetic Monte Carlo Models with Thousands of Reactions Learned from Molecular Dynamics Simulations
Enze Chen, Qian Yang, Vincent Dufour-Décieux, et al.
Nano Letters
|
February 14, 2017
Data Mining for New Two- and One-Dimensional Weakly Bonded Solids and Lattice-Commensurate Heterostructures
Gowoon Cheon, Karel-Alexander N Duerloo, Austin D Sendek, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
September 12, 2021
Novel Ultrabright and Air-Stable Photocathodes Discovered from Machine Learning and Density Functional Theory Driven Screening
Evan R Antoniuk, Peter Schindler, W Andreas Schroeder, et al.
ACS Applied Materials & Interfaces
|
September 8, 2023
Electrolyte Coatings for High Adhesion Interfaces in Solid-State Batteries from First Principles
Brandi Ransom, Akash Ramdas, Eder Lomeli, et al.
ACS Nano
|
May 28, 2021
Spectrum of Exfoliable 1D van der Waals Molecular Wires and Their Electronic Properties
Yanbing Zhu, Daniel A Rehn, Evan R Antoniuk, et al.
The Journal of Chemical Physics
|
April 2, 2009
Ab initio simulation of the equation of state and kinetics of shocked water
Nir Goldman, Evan J Reed, I-F William Kuo, et al.
The Journal of Chemical Physics
|
June 6, 2008
Ultrafast transformation of graphite to diamond: an ab initio study of graphite under shock compression
Christopher J Mundy, Alessandro Curioni, Nir Goldman, et al.
Page
of 7
Search research articles
Search
Showing results (41-50 of 66) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
January 10, 2019
ODE integration schemes for plane-wave real-time time-dependent density functional theory
Daniel A Rehn, Yuan Shen, Marika E Buchholz, et al.
The Journal of Physical Chemistry Letters
|
November 28, 2018
Revealing the Spectrum of Unknown Layered Materials with Superhuman Predictive Abilities
Gowoon Cheon, Ekin D Cubuk, Evan R Antoniuk, et al.
The Journal of Physical Chemistry. A
|
October 8, 2013
Comparison of ReaxFF, DFTB, and DFT for phenolic pyrolysis. 2. Elementary reaction paths
Charles W Bauschlicher, Tingting Qi, Evan J Reed, et al.
The Journal of Physical Chemistry. A
|
February 9, 2019
Transferable Kinetic Monte Carlo Models with Thousands of Reactions Learned from Molecular Dynamics Simulations
Enze Chen, Qian Yang, Vincent Dufour-Décieux, et al.
Nano Letters
|
February 14, 2017
Data Mining for New Two- and One-Dimensional Weakly Bonded Solids and Lattice-Commensurate Heterostructures
Gowoon Cheon, Karel-Alexander N Duerloo, Austin D Sendek, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
September 12, 2021
Novel Ultrabright and Air-Stable Photocathodes Discovered from Machine Learning and Density Functional Theory Driven Screening
Evan R Antoniuk, Peter Schindler, W Andreas Schroeder, et al.
ACS Applied Materials & Interfaces
|
September 8, 2023
Electrolyte Coatings for High Adhesion Interfaces in Solid-State Batteries from First Principles
Brandi Ransom, Akash Ramdas, Eder Lomeli, et al.
ACS Nano
|
May 28, 2021
Spectrum of Exfoliable 1D van der Waals Molecular Wires and Their Electronic Properties
Yanbing Zhu, Daniel A Rehn, Evan R Antoniuk, et al.
The Journal of Chemical Physics
|
April 2, 2009
Ab initio simulation of the equation of state and kinetics of shocked water
Nir Goldman, Evan J Reed, I-F William Kuo, et al.
The Journal of Chemical Physics
|
June 6, 2008
Ultrafast transformation of graphite to diamond: an ab initio study of graphite under shock compression
Christopher J Mundy, Alessandro Curioni, Nir Goldman, et al.
Page
of 7