Jaron T Krogel

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 18

Top Topics

Density Functional Theory

Molecularly Imprinted

Machine Learning

Transition Metal

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

The journal of physical chemistry. A

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

Publications

Hyeondeok Shin, Kevin Gasperich, Tomas Rojas, Anh T Ngo, Jaron T Krogel, Anouar Benali
Systematic Improvement of Quantum Monte Carlo Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gap Prediction. Journal of chemical theory and computation (2024)
Abdulgani Annaberdiyev, Panchapakesan Ganesh, Jaron T Krogel
Enhanced Twist-Averaging Technique for Magnetic Metals: Applications Using Quantum Monte Carlo. Journal of chemical theory and computation 20 (7) (2024)
Jaron T Krogel, Tomohiro Ichibha, Kayahan Saritas, Mina Yoon, Fernando A Reboredo
Predictions of delafossite-hosted honeycomb and kagome phases. Physical chemistry chemical physics : PCCP 26 (10) (2024)
Hyeondeok Shin, Panchapakesan Ganesh, Paul R C Kent, Anouar Benali, Anand Bhattacharya, Ho Nyung Lee, Olle G Heinonen, Jaron T Krogel
DFT+ U and quantum Monte Carlo study of electronic and optical properties of AgNiO 2 and AgNi 1- x Co x O 2 delafossite. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Hyeondeok Shin, Panchapakesan Ganesh, Paul R C Kent, Anouar Benali, Anand Bhattacharya, Ho Nyung Lee, Olle G Heinonen, Jaron T Krogel
DFT+ U and quantum Monte Carlo study of electronic and optical properties of AgNiO 2 and AgNi 1- x Co x O 2 delafossite. Physical chemistry chemical physics : PCCP (2024)
Hyeondeok Shin, Panchapakesan Ganesh, Paul R C Kent, Anouar Benali, Anand Bhattacharya, Ho Nyung Lee, Olle G Heinonen, Jaron T Krogel
DFT+ U and quantum Monte Carlo study of electronic and optical properties of AgNiO 2 and AgNi 1- x Co x O 2 delafossite. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Gopal R Iyer, Noah Whelpley, Juha Tiihonen, Paul R C Kent, Jaron T Krogel, Brenda Marilyn Rubenstein
Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories. Journal of chemical theory and computation (2024)
Abdulgani Annaberdiyev, Panchapakesan Ganesh, Jaron T Krogel
Enhanced Twist-Averaging Technique for Magnetic Metals: Applications Using Quantum Monte Carlo. Journal of chemical theory and computation (2024)
Jaron T Krogel, Tomohiro Ichibha, Kayahan Saritas, Mina Yoon, Fernando A Reboredo
Predictions of delafossite-hosted honeycomb and kagome phases. Physical chemistry chemical physics : PCCP (2024)
Daniel Wines, Juha Tiihonen, Kayahan Saritas, Jaron T Krogel, Can Ataca
A Quantum Monte Carlo Study of the Structural, Energetic, and Magnetic Properties of Two-Dimensional H and T Phase VSe 2 . The journal of physical chemistry letters (2023)
Jeonghwan Ahn, Seoung-Hun Kang, Mina Yoon, Panchapakesan Ganesh, Jaron T Krogel
Stacking Faults and Topological Properties in MnBi 2 Te 4 : Reconciling Gapped and Gapless States. The journal of physical chemistry letters (2023)
Bing Huang, O Anatole von Lilienfeld, Jaron T Krogel, Anouar Benali
Toward DMC Accuracy Across Chemical Space with Scalable Δ-QML. Journal of chemical theory and computation (2023)
Matthew Brahlek, Alessandro R Mazza, Abdulgani Annaberdiyev, Michael Chilcote, Gaurab Rimal, Gábor B Halász, Anh Pham, Yun-Yi Pai, Jaron T Krogel, Jason Lapano, Benjamin J Lawrie, Gyula Eres, Jessica McChesney, Thomas Prokscha, Andreas Suter, Seongshik Oh, John W Freeland, Yue Cao, Jason S Gardner, Zaher Salman, Robert G Moore, Panchapakesan Ganesh, Thomas Zac Ward
Emergent Magnetism with Continuous Control in the Ultrahigh-Conductivity Layered Oxide PdCoO 2 . Nano letters (2023)
David Curie, Jaron T Krogel, Lukas Cavar, Abhishek Solanki, Pramey Upadhyaya, Tongcang Li, Yun-Yi Pai, Michael Chilcote, Vasudevan Iyer, Alexander A Puretzky, Ilia N Ivanov, Mao-Hua Du, Fernando Reboredo, Benjamin J Lawrie
Correlative Nanoscale Imaging of Strained hBN Spin Defects. ACS applied materials & interfaces 14 (36) (2022)
Kevin Ryczko, Jaron T Krogel, Isaac Tamblyn
Machine Learning Diffusion Monte Carlo Energies. Journal of chemical theory and computation (2022)
M Chandler Bennett, Fernando A Reboredo, Lubos Mitas, Jaron T Krogel
High Accuracy Transition Metal Effective Cores for the Many-Body Diffusion Monte Carlo Method. Journal of chemical theory and computation 18 (2) (2022)
Valentino R Cooper, Jaron T Krogel, Kelling J Donald
From Molecules to Solids: A vdW-DF-C09 Case Study of the Mercury Dihalides. The journal of physical chemistry. A 125 (18) (2021)
Jaron T Krogel, Simuck F Yuk, Paul R C Kent, Valentino R Cooper
Perspectives on van der Waals Density Functionals: The Case of TiS2. The journal of physical chemistry. A 124 (47) (2020)