Search research articles
Contact Us
Filters
Showing results (1-10 of 86) with videos related to
Page
of 9
Sort By:
Molecules (Basel, Switzerland)
|
May 14, 2020
Aggregate-State Effects in the Atomistic Modeling of Organic Materials for Electrochemical Energy Conversion and Storage Devices: A Perspective
Sergei Manzhos
Molecules (Basel, Switzerland)
|
November 16, 2016
Special Issue "Molecular Engineering for Electrochemical Power Sources"
Sergei Manzhos
The Journal of Chemical Physics
|
December 17, 2008
Using neural networks, optimized coordinates, and high-dimensional model representations to obtain a vinyl bromide potential surface
Sergei Manzhos, Tucker Carrington
Physical Chemistry Chemical Physics : PCCP
|
May 11, 2022
Computational vibrational spectroscopy of molecule-surface interactions: what is still difficult and what can be done about it
Sergei Manzhos, Manabu Ihara
The Journal of Physical Chemistry Letters
|
August 10, 2017
Addition to "On the Charge State of Titanium in Titanium Dioxide"
Daniel Koch, Sergei Manzhos
Physical Chemistry Chemical Physics : PCCP
|
December 15, 2015
A computational study of lithium interaction with tetracyanoethylene (TCNE) and tetracyaniquinodimethane (TCNQ) molecules
Yingqian Chen, Sergei Manzhos
The Journal of Chemical Physics
|
December 4, 2018
Using rectangular collocation with finite difference derivatives to solve electronic Schrödinger equation
Sergei Manzhos, Tucker Carrington
The Journal of Chemical Physics
|
July 14, 2007
Using redundant coordinates to represent potential energy surfaces with lower-dimensional functions
Sergei Manzhos, Tucker Carrington
Frontiers in Chemistry
|
March 11, 2020
First-Principle Insights Into Molecular Design for High-Voltage Organic Electrode Materials for Mg Based Batteries
Johann Lüder, Sergei Manzhos
The Journal of Chemical Physics
|
August 24, 2020
Data-driven kinetic energy density fitting for orbital-free DFT: Linear vs Gaussian process regression
Sergei Manzhos, Pavlo Golub
Page
of 9
Search research articles
Search
Showing results (1-10 of 86) with videos related to
Sort By:
Page
of 9
Molecules (Basel, Switzerland)
|
May 14, 2020
Aggregate-State Effects in the Atomistic Modeling of Organic Materials for Electrochemical Energy Conversion and Storage Devices: A Perspective
Sergei Manzhos
Molecules (Basel, Switzerland)
|
November 16, 2016
Special Issue "Molecular Engineering for Electrochemical Power Sources"
Sergei Manzhos
The Journal of Chemical Physics
|
December 17, 2008
Using neural networks, optimized coordinates, and high-dimensional model representations to obtain a vinyl bromide potential surface
Sergei Manzhos, Tucker Carrington
Physical Chemistry Chemical Physics : PCCP
|
May 11, 2022
Computational vibrational spectroscopy of molecule-surface interactions: what is still difficult and what can be done about it
Sergei Manzhos, Manabu Ihara
The Journal of Physical Chemistry Letters
|
August 10, 2017
Addition to "On the Charge State of Titanium in Titanium Dioxide"
Daniel Koch, Sergei Manzhos
Physical Chemistry Chemical Physics : PCCP
|
December 15, 2015
A computational study of lithium interaction with tetracyanoethylene (TCNE) and tetracyaniquinodimethane (TCNQ) molecules
Yingqian Chen, Sergei Manzhos
The Journal of Chemical Physics
|
December 4, 2018
Using rectangular collocation with finite difference derivatives to solve electronic Schrödinger equation
Sergei Manzhos, Tucker Carrington
The Journal of Chemical Physics
|
July 14, 2007
Using redundant coordinates to represent potential energy surfaces with lower-dimensional functions
Sergei Manzhos, Tucker Carrington
Frontiers in Chemistry
|
March 11, 2020
First-Principle Insights Into Molecular Design for High-Voltage Organic Electrode Materials for Mg Based Batteries
Johann Lüder, Sergei Manzhos
The Journal of Chemical Physics
|
August 24, 2020
Data-driven kinetic energy density fitting for orbital-free DFT: Linear vs Gaussian process regression
Sergei Manzhos, Pavlo Golub
Page
of 9