Juha Tiihonen

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All published works
Action Title Year Authors
+ PDF Chat Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories 2024 Gopal R. Iyer
Noah Whelpley
Juha Tiihonen
Paul R. C. Kent
Jaron T. Krogel
Brenda M. Rubenstein
+ PDF Chat Surrogate optimization of variational quantum circuits 2024 Erik Gustafson
Juha Tiihonen
Diana Chamaki
Farshud Sorourifar
J. Wayne Mullinax
Andy C. Y. Li
Filip B. Maciejewski
Nicolas P. D. Sawaya
Jaron T. Krogel
David E. Bernal
+ PDF Chat Force-free identification of minimum-energy pathways and transition states for stochastic electronic structure theories 2024 Gopal R. Iyer
Noah Whelpley
Juha Tiihonen
Paul R. C. Kent
Jaron T. Krogel
Brenda M. Rubenstein
+ A Quantum Monte Carlo Study of the Structural, Energetic, and Magnetic Properties of Two-Dimensional H and T Phase VSe<sub>2</sub> 2023 Daniel Wines
Juha Tiihonen
Kayahan Saritas
Jaron T. Krogel
Can Ataca
+ PDF Chat A combined first principles study of the structural, magnetic, and phonon properties of monolayer CrI3 2021 Daniel Staros
Guoxiang Hu
Juha Tiihonen
Ravindra Nanguneri
Jaron T. Krogel
M. Chandler Bennett
Olle Heinonen
Panchapakesan Ganesh
Brenda M. Rubenstein
+ Toward quantum Monte Carlo forces on heavier ions: Scaling properties 2021 Juha Tiihonen
Raymond C. Clay
Jaron T. Krogel
+ Towards Quantum Monte Carlo Forces on Heavier Ions: Scaling Properties 2021 Juha Tiihonen
Raymond C. Clay
Jaron T. Krogel
+ PDF Chat Static field-gradient polarizabilities of small atoms and molecules at finite temperature 2017 Juha Tiihonen
Ilkka Kylänpää
Tapio T. Rantala
Common Coauthors
Commonly Cited References
Action Title Year Authors # of times referenced
+ PDF Chat <tt>QMCPACK</tt>: an open source<i>ab initio</i>quantum Monte Carlo package for the electronic structure of atoms, molecules and solids 2018 Jeongnim Kim
Andrew Baczewski
Todd D. Beaudet
Anouar Benali
M. Chandler Bennett
M. Berrill
Nick S. Blunt
Edgar Josué Landinez Borda
Michele Casula
David M. Ceperley
3
+ PDF Chat Zero-variance zero-bias principle for observables in quantum Monte Carlo: Application to forces 2003 Roland Assaraf
Michel Caffarel
2
+ PDF Chat A first-principles Quantum Monte Carlo study of two-dimensional (2D) GaSe 2020 Daniel Wines
Kayahan Saritas
Can Ataca
2
+ PDF Chat Accurate, Efficient, and Simple Forces Computed with Quantum Monte Carlo Methods 2005 Simone Chiesa
David M. Ceperley
Shiwei Zhang
2
+ A new generation of effective core potentials from correlated calculations: 3d transition metal series 2018 Abdulgani Annaberdiyev
Guangming Wang
Cody Melton
M. Chandler Bennett
Luke Shulenburger
Luboš Mitáš
2
+ PDF Chat QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo 2020 Paul R. C. Kent
Abdulgani Annaberdiyev
Anouar Benali
M. Chandler Bennett
Edgar Josué Landinez Borda
Peter Doak
Hongxia Hao
Kenneth D. Jordan
Jaron T. Krogel
Ilkka Kylänpää
2
+ PDF Chat Ferromagnetism in 2D Vanadium Diselenide 2021 Xiong Wang
Dian Li
Zejun Li
Changzheng Wu
Chi‐Ming Che
Gang Chen
Xiaodong Cui
2
+ PDF Chat A combined first principles study of the structural, magnetic, and phonon properties of monolayer CrI3 2021 Daniel Staros
Guoxiang Hu
Juha Tiihonen
Ravindra Nanguneri
Jaron T. Krogel
M. Chandler Bennett
Olle Heinonen
Panchapakesan Ganesh
Brenda M. Rubenstein
2
+ PDF Chat Tail-regression estimator for heavy-tailed distributions of known tail indices and its application to continuum quantum Monte Carlo data 2019 Pablo López Ríos
G. J. Conduit
2
+ PDF Chat Inhomogeneous backflow transformations in quantum Monte Carlo calculations 2006 Pablo López Ríos
Ao Ma
N. D. Drummond
M. D. Towler
R. J. Needs
2
+ PDF Chat Correlated sampling in quantum Monte Carlo: A route to forces 2000 Claudia Filippi
C. J. Umrigar
2
+ PDF Chat Stable Liquid Hydrogen at High Pressure by a Novel<i>Ab Initio</i>Molecular-Dynamics Calculation 2008 Claudio Attaccalite
Sandro Sorella
2
+ PDF Chat Heavy-tailed random error in quantum Monte Carlo 2008 J. R. Trail
1
+ PDF Chat Effects of backflow correlation in the three-dimensional electron gas: Quantum Monte Carlo study 1998 Yongkyung Kwon
David M. Ceperley
Richard M. Martin
1
+ Existence of Long-Range Order in One and Two Dimensions 1967 P. C. Hohenberg
1
+ PDF Chat Beyond the locality approximation in the standard diffusion Monte Carlo method 2006 Michele Casula
1
+ Systematic Reduction of Sign Errors in Many-Body Calculations of Atoms and Molecules 2010 Michal Bajdich
Murilo L. Tiago
Randolph Q. Hood
Paul R. C. Kent
Fernando A. Reboredo
1
+ PDF Chat Projector augmented-wave method 1994 Peter E. Blöchl
1
+ PDF Chat Continuum model of the twisted graphene bilayer 2012 J. M. B. Lopes dos Santos
N. M. R. Peres
A. H. Castro Neto
1
+ PDF Chat Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited 2010 Michele Casula
Saverio Moroni
Sandro Sorella
Claudia Filippi
1
+ PDF Chat Local Bayesian optimizer for atomic structures 2019 Estefanía Garijo del Río
Jens Jørgen Mortensen
Karsten W. Jacobsen
1
+ PDF Chat Methods for calculating forces within quantum Monte Carlo simulations 2010 A. Badinski
Peter D. Haynes
J. R. Trail
R. J. Needs
1
+ A new generation of effective core potentials from correlated calculations: 2nd row elements 2018 M. Chandler Bennett
Guangming Wang
Abdulgani Annaberdiyev
Cody Melton
Luke Shulenburger
Luboš Mitáš
1
+ PDF Chat Algorithmic differentiation and the calculation of forces by quantum Monte Carlo 2010 Sandro Sorella
Luca Capriotti
1
+ PDF Chat Minimum energy pathways via quantum Monte Carlo 2013 Sebastiano Saccani
Claudia Filippi
Saverio Moroni
1
+ PDF Chat Moiré bands in twisted double-layer graphene 2011 Rafi Bistritzer
A. H. MacDonald
1
+ PDF Chat Linear response approach to the calculation of the effective interaction parameters in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>LDA</mml:mi><mml:mo>+</mml:mo><mml:mi mathvariant="normal">U</mml:mi></mml:mrow></mml:math>method 2005 Matteo Cococcioni
Stefano de Gironcoli
1
+ PDF Chat Twist-averaged boundary conditions in continuum quantum Monte Carlo algorithms 2001 Chao‐Ping Lin
Fenghua Zong
David M. Ceperley
1
+ PDF Chat Theory and applications of atomic and ionic polarizabilities 2010 J. Mitroy
M. S. Safronova
Charles W. Clark
1
+ PDF Chat Spin-orbit interactions in electronic structure quantum Monte Carlo methods 2016 Cody Melton
Minyi Zhu
Shi Guo
Alberto Ambrosetti
Francesco Pederiva
Luboš Mitáš
1
+ PDF Chat High-precision nonadiabatic calculations of dynamic polarizabilities and hyperpolarizabilities for low-lying vibrational-rotational states of hydrogen molecular ions 2014 Li-Yan Tang
Zong-Chao Yan
Ting-Yun Shi
J. F. Babb
1
+ PDF Chat Total forces in the diffusion Monte Carlo method with nonlocal pseudopotentials 2008 A. Badinski
R. J. Needs
1
+ The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus 2015 Luke Shulenburger
Andrew Baczewski
Zhen Zhu
Jie Guan
David Tománek
1
+ Optimizing the Energy with Quantum Monte Carlo: A Lower Numerical Scaling for Jastrow–Slater Expansions 2017 Roland Assaraf
Saverio Moroni
Claudia Filippi
1
+ PDF Chat Accounting for electronic polarization in non-polarizable force fields 2011 Igor Leontyev
Alexei A. Stuchebrukhov
1
+ PDF Chat Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limit 2017 Bevin Huang
Genevieve Clark
Efrén Navarro‐Moratalla
Dahlia Klein
Ran Cheng
Kyle L. Seyler
Ding Zhong
E. R. Schmidgall
Michael A. McGuire
David Cobden
1
+ PDF Chat Analytic Interatomic Forces in the Random Phase Approximation 2017 Benjamin Ramberger
Tobias Schäfer
Georg Kresse
1
+ PDF Chat Phase Diagram of Hydrogen and a Hydrogen-Helium Mixture at Planetary Conditions by Quantum Monte Carlo Simulations 2018 Guglielmo Mazzola
Ravit Helled
Sandro Sorella
1
+ PDF Chat Interplay between Kitaev interaction and single ion anisotropy in ferromagnetic CrI3 and CrGeTe3 monolayers 2018 Changsong Xu
Junsheng Feng
Hongjun Xiang
L. Bellaïche
1
+ PDF Chat Interplay between interlayer exchange and stacking in CrI3 bilayers 2019 David Soriano
Cláudia Cardoso
J. Fernández‐Rossier
1
+ PDF Chat Stacking-Dependent Magnetism in Bilayer CrI<sub>3</sub> 2018 Nikhil Sivadas
Satoshi Okamoto
Xiaodong Xu
Craig J. Fennie
Di Xiao
1
+ PDF Chat Emergence of a Metal–Insulator Transition and High-Temperature Charge-Density Waves in VSe<sub>2</sub> at the Monolayer Limit 2018 Ganbat Duvjir
Byoung Ki Choi
Iksu Jang
Søren Ulstrup
Soonmin Kang
Trinh Thi Ly
Sanghwa Kim
Young Hwan Choi
Chris Jozwiak
Aaron Bostwick
1
+ Estimates of the Regression Coefficient Based on Kendall's Tau 1968 Pranab Kumar Sen
1
+ PDF Chat Unique Gap Structure and Symmetry of the Charge Density Wave in Single-Layer <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>VSe</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math> 2018 Peng Chen
Woei Wu Pai
Yang‐Hao Chan
Vidya Madhavan
M. Y. Chou
Sung‐Kwan Mo
А. В. Федоров
T.‐C. Chiang
1
+ PDF Chat Fundamental Spin Interactions Underlying the Magnetic Anisotropy in the Kitaev Ferromagnet <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>CrI</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math> 2020 Inhee Lee
Franz Utermohlen
Daniel Weber
Kyusung Hwang
Chi Zhang
Johan van Tol
Joshua E. Goldberger
Nandini Trivedi
P. C. Hammel
1
+ PDF Chat Microscopic origin of ferromagnetism in the trihalides <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>CrCl</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math> and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>CrI</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math> 2019 Omar Besbes
S. A. Nikolaev
N. Meskini
I. V. Solovyev
1
+ 2D materials and van der Waals heterostructures 2016 Kostya S. Novoselov
Artem Mishchenko
Alexandra Carvalho
A. H. Castro Neto
1
+ A data ecosystem to support machine learning in materials science 2019 Ben Blaiszik
Logan Ward
Marcus Schwarting
Jonathon Gaff
Ryan Chard
Daniel W. Pike
Kyle Chard
Ian Foster
1
+ PDF Chat Magnetic skyrmions in atomic thin CrI3 monolayer 2019 Aroop Behera
Sugata Chowdhury
Suprem R. Das
1
+ PDF Chat Accelerating<i>ab initio</i>Molecular Dynamics and Probing the Weak Dispersive Forces in Dense Liquid Hydrogen 2017 Guglielmo Mazzola
Sandro Sorella
1