Samuel B. Trickey

According to our database, Samuel B. Trickey authored at least 9 papers between 2007 and 2022.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2022

Performance Enhancement of APW+lo Calculations by Simplest Separation of Concerns.

Long Zhang, Anton Kozhevnikov, Thomas C. Schulthess, Hai-Ping Cheng, Samuel B. Trickey

Comput., 2022

2017

Kubo-Greenwood electrical conductivity formulation and implementation for projector augmented wave datasets.

Lucas Calderin, Valentin V. Karasiev, Samuel B. Trickey

Comput. Phys. Commun., 2017

2015

Improved analytical representation of combinations of Fermi-Dirac integrals for finite-temperature density functional calculations.

Valentin V. Karasiev, Debajit Chakraborty, Samuel B. Trickey

Comput. Phys. Commun., 2015

2014

Finite-temperature orbital-free DFT molecular dynamics: Coupling Profess and Quantum Espresso.

Valentin V. Karasiev, Travis Sjostrom, Samuel B. Trickey

Comput. Phys. Commun., 2014

2012

Comment on "a minimal implementation of the AMBER-GAUSSIAN interface for <i>Ab Initio</i> QM/MM-MD simulation".

Benjamin P. Roberts, Gustavo de M. Seabra, Adrian E. Roitberg, Kenneth M. Merz Jr., Erik Deumens, Juan Torras, Samuel B. Trickey

J. Comput. Chem., 2012

Issues and challenges in orbital-free density functional calculations.

Valentin V. Karasiev, Samuel B. Trickey

Comput. Phys. Commun., 2012

2010

Incorporation of deMon2k as a new parallel quantum mechanical code for the PUPIL system.

Oscar Bertran, Samuel B. Trickey, Juan Torras

J. Comput. Chem., 2010

2008

A versatile AMBER-Gaussian QM/MM interface through PUPIL.

Juan Torras, Gustavo de M. Seabra, Erik Deumens, Samuel B. Trickey, Adrian E. Roitberg

J. Comput. Chem., 2008

2007

PUPIL: A systematic approach to software integration in multi-scale simulations.

Juan Torras, Yao He, Chao Cao, Krishna Muralidharan, Erik Deumens, H.-P. Cheng, Samuel B. Trickey

Comput. Phys. Commun., 2007