Search

Theoretical and Computational Chemistry

Working Paper

Are Dispersion Corrections Accurate Outside Equilibrium? A Case Study on Benzene

Tim Gould, Erin R. Johnson, Sherif Abdulkader Tawfik

Version 1 posted 23 February 2018

937

Downloads

Materials Science

Working Paper

Efficient prediction of structural and electronic properties of hybrid 2D materials using complementary DFT and machine learning approaches

Sherif Tawfik, Olexandr Isayev, Catherine Stampfl, Joseph Shapter, David Winkler, Michael J. Ford

Version 4 posted 20 August 2018

1,620

Downloads

Materials Science

Working Paper

Systematic Investigation of Functional Ligands for Colloidal Stable Upconversion Nanoparticles

Hien Duong, Yinghui Chen, Sherif Abdulkader Tawfik, Shihui Wen, Maryam Parviz, Mike J Ford, Olga Shimoni, Dayong Jin

Version 1 posted 14 December 2017

527

Downloads

Materials Chemistry

Working Paper

Accelerated discovery of solid-state electrolytes using Bayesian optimisation

Sherif Tawfik, Julian Berk, Tiffany Walsh, Santu Rana, Svetha Venkatesh

Version 1 posted 17 October 2024

140

Downloads

Materials Chemistry

Working Paper

Scale matters: simulation of nanoscopic dendrite initiation in the lithium solid electrolyte interphase using a machine learning potential

Sherif Abdulkader Tawfik, Linh La, Tri Nguyen, Truyen Tran, Sunil Gupta, Svetha Venkatesh

Version 1 posted 28 October 2024

83

Downloads

Materials Science

Working Paper

Frustrated van der Waals heterostructures

Sherif Abdulkader Tawfik

Version 2 posted 21 August 2024

117

Downloads

Theoretical and Computational Chemistry

Working Paper

The hole mass in Car-Parrinello molecular dynamics: insights into the dynamics of excitation

Sherif Tawfik, Tiffany Walsh

Version 1 posted 21 November 2024

0

Downloads

Refine Search

7 results in Sherif Tawfik in Authors: Sherif Tawfik

Are Dispersion Corrections Accurate Outside Equilibrium? A Case Study on Benzene

Efficient prediction of structural and electronic properties of hybrid 2D materials using complementary DFT and machine learning approaches

Systematic Investigation of Functional Ligands for Colloidal Stable Upconversion Nanoparticles

Accelerated discovery of solid-state electrolytes using Bayesian optimisation

Scale matters: simulation of nanoscopic dendrite initiation in the lithium solid electrolyte interphase using a machine learning potential

Frustrated van der Waals heterostructures

The hole mass in Car-Parrinello molecular dynamics: insights into the dynamics of excitation

7 results in Authors: Sherif Tawfik