Piotr Piecuch (P Piecuch)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 18

Top Topics

Molecular Dynamics Simulations

Helicobacter Pylori Infection

Energy Transfer

Top Venues

The Journal of chemical physics

The journal of physical chemistry. B

The journal of physical chemistry. A

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Federico Zahariev, Peng Xu, Bryce M Westheimer, Simon P Webb, Jorge Galvez Vallejo, Ananta Tiwari, Vaibhav Sundriyal, Masha Sosonkina, Jun Shen, George Schoendorff, Megan Schlinsog, Tosaporn Sattasathuchana, Klaus Ruedenberg, Luke B Roskop, Alistair P Rendell, David Poole, Piotr Piecuch, Buu Q Pham, Vladimir Mironov, Joani Mato, Sam Leonard, Sarom S Leang, Joe Ivanic, Jackson Hayes, Taylor Harville, Karthik Gururangan, Emilie B Guidez, Igor S Gerasimov, Christian Friedl, Katherine N Ferreras, George Elliott, Dipayan Datta, Daniel Del Angel Cruz, Laura Carrington, Colleen Bertoni, Giuseppe M J Barca, Melisa Alkan, Mark S Gordon
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures. Journal of chemical theory and computation (2023)
Andrew M Wibowo-Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V Arbuznikov, Paul W Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cancès, Emily A Carter, Pratim Kumar Chattaraj, Henry Chermette, Ilaria Ciofini, T Daniel Crawford, Frank de Proft, John F Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Soumen Ghosh, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas I Gidopoulos, Peter M W Gill, Paola Gori-Giorgi, Andreas Görling, Timothy Gould, Stefan Grimme, Oleg V Gritsenko, Hans Jørgen Aagaard Jensen, Erin R Johnson, Robert O Jones, Martin Kaupp, Andreas M Köster, Leeor Kronik, Anna I Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-François Loos, Neepa T Maitra, Frank Neese, John P Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis R Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor N Staroverov, Jianwei Sun, Erik I Tellgren, David J Tozer, Samuel B Trickey, Carsten A Ullrich, Alberto Vela, Giovanni Vignale, Tomasz Adam Wesołowski, Xin Xu, Weitao Yang
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical chemistry chemical physics : PCCP 24 (47) (2022)
Jacob Stamm, Shuai Li, Bethany Jochim, Stephen H Yuwono, Swati S Priyadarsini, Piotr Piecuch, Marcos Dantus
Femtosecond intramolecular rearrangement of the CH 3 NCS radical cation. The Journal of chemical physics 157 (21) (2022)
Woojin Park, Jun Shen, Seunghoon Lee, Piotr Piecuch, Michael Filatov Gulak, Cheol-Ho Choi
Internal Conversion between Bright (11Bu+) and Dark (21Ag-) States in s-trans-Butadiene and s-trans-Hexatriene. The journal of physical chemistry letters 12 (39) (2021)
Ilias Magoulas, Karthik Gururangan, Piotr Piecuch, J Emiliano Deustua, Jun Shen
Is Externally Corrected Coupled Cluster Always Better Than the Underlying Truncated Configuration Interaction? Journal of chemical theory and computation 17 (7) (2021)
Jurick Lahiri, Stephen H Yuwono, Ilias Magoulas, M Moemeni, Babak Borhan, Gary J Blanchard, Piotr Piecuch, Marcos Dantus
Controlling Quantum Interference between Virtual and Dipole Two-Photon Optical Excitation Pathways Using Phase-Shaped Laser Pulses. The journal of physical chemistry. A 125 (34) (2021)
Briana A Capistran, Stephen H Yuwono, Mehdi Moemeni, Soham Maity, Aria Vahdani, Babak Borhan, James E Jackson, Piotr Piecuch, Marcos Dantus, Gary J Blanchard
Excited-State Dynamics of a Substituted Fluorene Derivative. The Central Role of Hydrogen Bonding Interactions with the Solvent. The journal of physical chemistry. B 125 (44) (2021)
Briana A Capistran, Stephen H Yuwono, Mehdi Moemeni, Soham Maity, Aria Vahdani, Babak Borhan, James E Jackson, Piotr Piecuch, Marcos Dantus, Gary J Blanchard
Intramolecular Relaxation Dynamics Mediated by Solvent-Solute Interactions of Substituted Fluorene Derivatives. Solute Structural Dependence. The journal of physical chemistry. B 125 (45) (2021)
Jurick Lahiri, Mehdi Moemeni, Jessica Kline, Ilias Magoulas, Stephen H Yuwono, Maryann Laboe, Jun Shen, Babak Borhan, Piotr Piecuch, James E Jackson, Gary J Blanchard, Marcos Dantus
Isoenergetic two-photon excitation enhances solvent-to-solute excited-state proton transfer. The Journal of chemical physics 153 (22) (2020)
Stephen H Yuwono, Ilias Magoulas, Piotr Piecuch
Quantum computation solves a half-century-old enigma: Elusive vibrational states of magnesium dimer found. Science advances 6 (14) (2020)
Janus J Eriksen, Tyler A Anderson, J Emiliano Deustua, Khaldoon Ghanem, Diptarka Hait, Mark R Hoffmann, Seunghoon Lee, Daniel S Levine, Ilias Magoulas, Jun Shen, Norman M Tubman, K Birgitta Whaley, Enhua Xu, Yuan Yao, Ning Zhang, Ali Alavi, Garnet Kin-Lic Chan, Martin Head-Gordon, Wenjian Liu, Piotr Piecuch, Sandeep Sharma, Seiichiro L Ten-No, C J Umrigar, Jürgen Gauss
The Ground State Electronic Energy of Benzene. The journal of physical chemistry letters 11 (20) (2020)
J Emiliano Deustua, Stephen H Yuwono, Jun Shen, Piotr Piecuch
Accurate excited-state energetics by a combination of Monte Carlo sampling and equation-of-motion coupled-cluster computations. The Journal of chemical physics 150 (11) (2019)
Jurick Lahiri, Mehdi Moemeni, Jessica Kline, Babak Borhan, Ilias Magoulas, Stephen H Yuwono, Piotr Piecuch, James E Jackson, Marcos Dantus, Gary J Blanchard
Proton Abstraction Mediates Interactions between the Super Photobase FR0-SB and Surrounding Alcohol Solvent. The journal of physical chemistry. B 123 (40) (2019)
Samuel J Stoneburner, Jun Shen, Adeayo O Ajala, Piotr Piecuch, Donald G Truhlar, Soumen Ghosh
Systematic design of active spaces for multi-reference calculations of singlet-triplet gaps of organic diradicals, with benchmarks against doubly electron-attached coupled-cluster data. The Journal of chemical physics 147 (16) (2018)
Ilias Magoulas, Nicholas P Bauman, Jun Shen, Piotr Piecuch
Application of the CC(P;Q) Hierarchy of Coupled-Cluster Methods to the Beryllium Dimer. The journal of physical chemistry. A 122 (5) (2018)
J Emiliano Deustua, Ilias Magoulas, Jun Shen, Piotr Piecuch
Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions. The Journal of chemical physics 149 (15) (2018)
Adeayo O Ajala, Jun Shen, Piotr Piecuch
Economical Doubly Electron-Attached Equation-of-Motion Coupled-Cluster Methods with an Active-Space Treatment of Three-Particle-One-Hole and Four-Particle-Two-Hole Excitations. The journal of physical chemistry. A 121 (18) (2017)
Ewa Pastorczak, Jun Shen, Michał Hapka, Piotr Piecuch, Katarzyna Pernal
Intricacies of van der Waals Interactions in Systems with Elongated Bonds Revealed by Electron-Groups Embedding and High-Level Coupled-Cluster Approaches. Journal of chemical theory and computation 13 (11) (2017)