Stefan Seritan
机构: Staff Scientist, Sandia National Laboratories
每年引用次数
引用次数
引用: 820
H-指数: 15
I10-指数 : 18
出版物: 70
Voice-controlled quantum chemistry
Alessio Valentini , Elisa Pieri , Elisa Pieri , Hayley Weir
Nature Computational Science 1 ( 1) 42 -45
2021
Nitromethane Decomposition via Automated Reaction Discovery and an Ab Initio Corrected Kinetic Model
Xiaolei Zhu , Xiaolei Zhu , Alejandro Strachan , Todd J. Martínez
Journal of Physical Chemistry A 125 ( 7) 1447 -1460
15
2021
Substituent Effects in Mechanochemical Allowed and Forbidden Cyclobutene Ring-Opening Reactions.
Jan Meisner , Tatiana B. Kouznetsova , Todd J. Martinez , Todd J. Martinez
Journal of the American Chemical Society 143 ( 10) 3846 -3855
2021
Experimental Characterization of Crosstalk Errors with Simultaneous Gate Set Tomography.
Daniel Lobser , Kenneth Rudinger , Timothy Proctor , Matthew D. Grace
arXiv: Quantum Physics
2021
TeraChem Cloud: A High-Performance Computing Service for Scalable Distributed GPU-Accelerated Electronic Structure Calculations.
Stefan Seritan , Keiran Thompson , Todd J. Martínez
Journal of Chemical Information and Modeling 60 ( 4) 2126 -2137
4
2020
TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units.
Stefan Seritan , Christoph Bannwarth , B. Scott Fales , Edward G. Hohenstein
Journal of Chemical Physics 152 ( 22) 224110
78
2020
Psychiatric Disorders Associated with FXTAS
Andreea L. Seritan , Melina Ortigas , Stefan Seritan , James A. Bourgeois
Current Psychiatry Reviews 9 ( 1) 59 -64
14
2013
Performance of Coupled-Cluster Singles and Doubles on Modern Stream Processing Architectures.
B. Scott Fales , Ethan R. Curtis , K. Grace Johnson , Dean Lahana
Journal of Chemical Theory and Computation 16 ( 7) 4021 -4028
5
2020
PySpawn: Software for Nonadiabatic Quantum Molecular Dynamics.
Dmitry A. Fedorov , Stefan Seritan , B. Scott Fales , Todd J. Martínez
Journal of Chemical Theory and Computation 16 ( 9) 5485 -5498
1
2020
A design equation for low dosage additives that accelerate nucleation.
Geoffrey G. Poon , Stefan Seritan , Baron Peters
Faraday Discussions 179 329 -341
8
2015
TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics
Stefan Seritan , Christoph Bannwarth , Bryan S Fales , Edward G Hohenstein
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 ( 2)
120
2021
Rate-Enhancing Roles of Water Molecules in Methyltrioxorhenium-Catalyzed Olefin Epoxidation by Hydrogen Peroxide
Bryan R. Goldsmith , Taeho Hwang , Stefan Seritan , Baron Peters
Journal of the American Chemical Society 137 ( 30) 9604 -9616
21
2015
ChemVox: Voice-Controlled Quantum Chemistry
Umberto Raucci , alessio Valentini , Elisa Pieri , Hayley Weir
ChemRxiv
2
2020
Large-Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction
B. Scott Fales , Stefan Seritan , Nick F. Settje , Benjamin G. Levine
Journal of Chemical Theory and Computation 14 ( 8) 4139 -4150
15
2018
Viewpoints on the 2017 American Conference on Theoretical Chemistry
Zachary K. Goldsmith , Justin Provazza , Stefan Seritan
Journal of Physical Chemistry A 121 ( 41) 7807 -7812
2017
InteraChem: exploring excited states in virtual reality with ab initio interactive molecular dynamics
Yuanheng Wang , Stefan Seritan , Dean Lahana , Jason E Ford
Journal of Chemical Theory and Computation 18 ( 6) 3308 -3317
5
2022
Interactive quantum chemistry enabled by machine learning, graphical processing units, and cloud computing
Umberto Raucci , Hayley Weir , Sukolsak Sakshuwong , Stefan Seritan
Annual Review of Physical Chemistry 74 313 -336
4
2023
Cover Image, Volume 11, Issue 2.
Stefan Seritan , Christoph Bannwarth , Bryan S Fales , Edward G Hohenstein
WIREs: Computational Molecular Science 11 ( 2)
1
2021
QuTree: A tree tensor network package
Roman Ellerbrock , K Grace Johnson , Stefan Seritan , Hannes Hoppe
The Journal of Chemical Physics 160 ( 11)
2024
Thinking inside boxes: Modularizing electronic structure and ab initio molecular dynamics
Stefan Seritan , Keiran Thompson , Scott Fales , Chenchen Song
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257
2019