T. Daniel Crawford
Virginia Polytechnic Institute and State University
H-index: 47
North America-United States
Top articles of T. Daniel Crawford
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Structure of [18] Annulene Revisited: Challenges for Computing Benzenoid Systems | The Journal of Physical Chemistry A | Rollin A King Peter R Schreiner T Daniel Crawford | 2024/2/2 |
2023: A Year in Review | Joan-Emma Shea T Daniel Crawford Barbara Kirchner Gregory V Hartland William Aumiller | 2024/1/11 | |
50 and 100 Years Ago in The Journal of Physical Chemistry─2024 Edition | Joan-Emma Shea T Daniel Crawford Martin T Zanni Gregory V Hartland William Aumiller | 2023/3/16 | |
Reduced Scaling Real-Time Coupled Cluster Theory | The Journal of Physical Chemistry A | Benjamin G Peyton Zhe Wang T Daniel Crawford | 2023/10/2 |
Challenges in the Use of Quantum Computing Hardware-Efficient Ansätze in Electronic Structure Theory | The Journal of Physical Chemistry A | Ruhee D’Cunha T Daniel Crawford Mario Motta Julia E Rice | 2023/4/11 |
A Review of 2022 and a Look at 2023 | Joan-Emma Shea T Daniel Crawford Martin T Zanni Gregory V Hartland William Aumiller | 2023/1/12 | |
Potential pitfalls in the use of quantum computing hardware-efficient Ansatze in electronic structure theory | Ruhee D'cunha Mario Motta T Daniel Crawford Julia Rice | 2023/8/13 | |
MQM 2022: The 10th Triennial Conference on Molecular Quantum Mechanics | T Daniel Crawford Anna I Krylov Henry F Schaefer III Troy Van Voorhis | 2023/6/15 | |
Accurate quantum chemistry calculations using NISQ era quantum computers | APS March Meeting Abstracts | Ashutosh Kumar Ayush Asthana Vibin Abraham Thomas Crawford Nicholas Mayhall | 2023 |
On the use of property-oriented basis sets for the simulation of vibrational chiroptical spectroscopies | Molecular Physics | Brendan M Shumberger Ethan H Fink Rollin A King T Daniel Crawford | 2023/12/20 |
Applications of a perturbation-aware local correlation method to coupled cluster linear response properties | Molecular Physics | Ruhee D'Cunha T Daniel Crawford | 2023/5/19 |
Quantum Simulation of Molecular Response Properties in the NISQ Era | Journal of Chemical Theory and Computation | Ashutosh Kumar Ayush Asthana Vibin Abraham T Daniel Crawford Nicholas J Mayhall | 2023/12/6 |
Experimental Assessment of Combined Contribution of Coal Mass Diffusion and Seepage to Methane Migration under In Situ Stress Conditions | JOURNAL OF PHYSICAL CHEMISTRY A | Ruhee D'Cunha T Daniel Crawford Mario Motta Julia E Rice | 2023/4/20 |
Early-Career and Emerging Researchers in Physical Chemistry Volume 2 | Anastassia N Alexandrova Julie S Biteen Sonia Coriani Franz M Geiger Andrew A Gewirth | 2023/11/2 | |
Accelerating real-time coupled cluster methods with single-precision arithmetic and adaptive numerical integration | Journal of Chemical Theory and Computation | Zhe Wang Benjamin G Peyton T Daniel Crawford | 2022/8/8 |
Accuracy assessment of variational quantum computing ansatze across a database of electronic structure problems | arXiv e-prints | Ruhee D'Cunha T Daniel Crawford Mario Motta Julia E Rice | 2022/8 |
A Venue for Advances in Experimental and Theoretical Methods in Physical Chemistry | Andrew J Orr-Ewing T Daniel Crawford Martin T Zanni Gregory Hartland Joan-Emma Shea | 2022/1/20 | |
MolSSI education: empowering the next generation of computational molecular scientists | Computing in Science & Engineering | Jessica A Nash Mohammad Mostafanejad T Daniel Crawford Ashley Ringer McDonald | 2022/9/9 |
The Journal of Physical Chemistry: Looking Back on Our 125th Anniversary and Looking Ahead to 2022 | Joan-Emma Shea T Daniel Crawford Martin Zanni Gregory Hartland William Aumiller | 2022/1/13 | |
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science | Andrew M Teale Trygve Helgaker Andreas Savin Carlo Adamo Bálint Aradi | 2022 |
