Lorenzo Monacelli

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All published works (52)

Action	Title	Date	Authors
+ PDF Ask	Breaking the bonds of generative artificial intelligence by minimizing the maximum entropy	2025-02-18	Mattia Miotto Lorenzo Monacelli
+	Giant Splitting of the Hydrogen Rotational Eigenenergies in the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math> Filled Ice	2024-12-06	Simone Di Cataldo Maria Rescigno Lorenzo Monacelli Umbertoluca Ranieri Richard Gaál Stefan Klotz Jacques Ollivier Michael Marek Koza Cristiano De Michele L. E. Bove
+ PDF Ask	Electrostatic interactions in atomistic and machine-learned potentials for polar materials	2024-12-02	Lorenzo Monacelli Nicola Marzari
+ PDF Ask	The thermodynamics of CaSiO3 in Earth's lower mantle	2024-11-27	Y. J. Shin Enrico Di Lucente Nicola Marzari Lorenzo Monacelli
+ PDF Ask	Beyond Gaussian fluctuations of quantum anharmonic nuclei	2024-10-18	Antonio Siciliano Lorenzo Monacelli Francesco Mauri
+ PDF Ask	A unified quantum framework for electrons and ions: The self-consistent harmonic approximation on a neural network curved manifold	2024-10-11	Lorenzo Monacelli Antonio Siciliano Nicola Marzari
+ PDF Ask	Ultrafast quantum dynamics in $\mathbf{\mathrm{SrTiO_3}}$ under impulsive THz radiation	2024-08-22	Francesco Libbi Anders Johansson Boris Kozinsky Lorenzo Monacelli
+ PDF Ask	Atomistic simulations of out-of-equilibrium quantum nuclear dynamics	2024-08-01	Francesco Libbi Anders Johansson Lorenzo Monacelli Boris Kozinsky
+ PDF Ask	Quantum effects in H-bond symmetrization and in thermodynamic properties of high pressure ice	2024-07-29	Marco Cherubini Lorenzo Monacelli Bingjia Yang Roberto Car Michele Casula Francesco Mauri
+ PDF Ask	Beyond Gaussian fluctuations of quantum anharmonic nuclei. The case of rotational degrees of freedom	2024-07-19	Antonio Siciliano Lorenzo Monacelli Francesco Mauri
+ PDF Ask	Quantum effects and temperature dependence of the free energy barrier and shear frequency in bilayer graphene	2024-07-05	Jean Paul Nery Lorenzo Monacelli Francesco Mauri
+ PDF Ask	Beyond Gaussian fluctuations of quantum anharmonic nuclei	2024-07-04	Antonio Siciliano Lorenzo Monacelli Francesco Mauri
+ PDF Ask	Simulating anharmonic crystals: Lights and shadows of first-principles approaches	2024-07-03	Lorenzo Monacelli
+ PDF Ask	Giant splitting of the hydrogen rotational eigenenergies in the C$_2$ filled ice	2024-05-23	Simone Di Cataldo Maria Rescigno Lorenzo Monacelli Umbertoluca Ranieri Richard Gaál Stefan Klotz Michael Marek Koza Cristiano De Michele L. E. Bove
+ PDF Ask	Quantum effects in the H-bond symmetrization and in the thermodynamic properties of high pressure ice	2024-03-14	Marco Cherubini Lorenzo Monacelli Bingjia Yang Roberto Car Michele Casula Francesco Mauri
+ PDF Ask	Magnetostriction-Driven Muon Localization in an Antiferromagnetic Oxide	2024-01-24	Pietro Bonfà Ifeanyi John Onuorah Franz Lang Iurii Timrov Lorenzo Monacelli Chennan Wang Xiao Sun O. Petracic Giovanni Pizzi Nicola Marzari
+ PDF Ask	Wigner Gaussian dynamics: Simulating the anharmonic and quantum ionic motion	2023-05-17	Antonio Siciliano Lorenzo Monacelli Giovanni Caldarelli Francesco Mauri
+ PDF Ask	Quantum phase diagram of high-pressure hydrogen	2023-03-13	Lorenzo Monacelli Michele Casula Kousuke Nakano Sandro Sorella Francesco Mauri
+ PDF Ask	First-Principles Thermodynamics of CsSnI<sub>3</sub>	2023-02-06	Lorenzo Monacelli Nicola Marzari
+ PDF Ask	Wigner Gaussian dynamics: simulating the anharmonic and quantum ionic motion	2023-01-01	Antonio Siciliano Lorenzo Monacelli Giovanni Caldarelli Francesco Mauri
+ PDF Ask	First-principles thermodynamics of CsSnI3	2023-01-01	Lorenzo Monacelli Nicola Marzari
+ PDF Ask	Large impact of phonon lineshapes on the superconductivity of solid hydrogen	2023-01-01	Ðorđe Dangić Lorenzo Monacelli Raffaello Bianco Francesco Mauri Ion Errea
+ PDF Ask	Magnetostriction-driven muon localisation in an antiferromagnetic oxide	2023-01-01	Pietro Bonfà Ifeanyi John Onuorah Franz Lang Iurii Timrov Lorenzo Monacelli Chennan Wang Xiao Sun O. Petracic Giovanni Pizzi Nicola Marzari
+ PDF Ask	Electronic structure and lattice dynamics of 1T-VSe$_2$: origin of the 3D-CDW	2023-01-01	Josu Diego D. Subires Ayman Said D. A. Chaney A. N. Korshunov Gastón Garbarino Florian Diekmann K. Mahatha Víctor Pardo J. Strempfer
+ PDF Ask	Understanding anharmonic effects on hydrogen desorption characteristics of Mg<sub><i>n</i></sub>H<sub>2<i>n</i></sub> nanoclusters by <i>ab initio</i> trained deep neural network	2022-01-01	Andrea Pedrielli Paolo E. Trevisanutto Lorenzo Monacelli Giovanni Garberoglio Nicola M. Pugno Simone Taioli
+ PDF Ask	Quantum phase diagram of high-pressure hydrogen	2022-01-01	Lorenzo Monacelli Michele Casula Kousuke Nakano Sandro Sorella Francesco Mauri
+ PDF Ask	Temperature-dependent anharmonic phonons in quantum paraelectric KTaO$_3$ by first principles and machine-learned force fields	2022-01-01	Luigi Ranalli Carla Verdi Lorenzo Monacelli Matteo Calandra Georg Kresse Cesare Franchini
+ PDF Ask	The microscopic origin of the anomalous isotopic properties of ice relies on the strong quantum anharmonic regime of atomic vibration	2021-10-21	Marco Cherubini Lorenzo Monacelli Francesco Mauri
+	The microscopic origin of anomalous properties of ice relies on the strong quantum anharmonic regime of atomic vibrations	2021-07-07	Marco Cherubini Lorenzo Monacelli Francesco Mauri
+ PDF Ask	The stochastic self-consistent harmonic approximation: calculating vibrational properties of materials with full quantum and anharmonic effects	2021-05-28	Lorenzo Monacelli Raffaello Bianco Marco Cherubini Matteo Calandra Ion Errea Francesco Mauri
+ PDF Ask	Time-dependent self-consistent harmonic approximation: Anharmonic nuclear quantum dynamics and time correlation functions	2021-03-23	Lorenzo Monacelli Francesco Mauri
+ PDF Ask	Anomalous High‐Temperature Superconductivity in YH<sub>6</sub>	2021-03-10	I. A. Troyan Dmitrii V. Semenok Alexander G. Kvashnin A. V. Sadakov O. A. Sobolevskiy V. M. Pudalov А. Г. Иванова Vitali B. Prakapenka Eran Greenberg Alexander Gavriliuk
+ PDF Ask	van der Waals driven anharmonic melting of the 3D charge density wave in VSe2	2021-01-26	Josu Diego Ayman Said Sanjoy K. Mahatha Raffaello Bianco Lorenzo Monacelli Matteo Calandra Francesco Mauri Kai Roßnagel Ion Errea S. Blanco-Canosa
+ PDF Ask	Understanding Anharmonic Effects on Hydrogen Desorption Characteristics of Mg$_n$H$_{2n}$ Nanoclusters by ab initio trained Deep Neural Network	2021-01-01	Andrea Pedrielli Paolo E. Trevisanutto Lorenzo Monacelli Giovanni Garberoglio Nicola M. Pugno Simone Taioli
+ PDF Ask	Genome heterogeneity drives the evolution of species	2020-10-05	Mattia Miotto Lorenzo Monacelli
+ PDF Ask	Black metal hydrogen above 360 GPa driven by proton quantum fluctuations	2020-09-07	Lorenzo Monacelli Ion Errea Matteo Calandra Francesco Mauri
+ PDF Ask	Weak Dimensionality Dependence and Dominant Role of Ionic Fluctuations in the Charge-Density-Wave Transition of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>NbSe</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>	2020-09-01	Raffaello Bianco Lorenzo Monacelli Matteo Calandra Francesco Mauri Ion Errea
+ PDF Ask	Theory of the thickness dependence of the charge density wave transition in 1T-TiTe$_2$	2020-07-13	Jianqiang Sky Zhou Raffaello Bianco Lorenzo Monacelli Ion Errea Francesco Mauri Matteo Calandra
+	Bending rigidity and sound propagation in graphene	2020-05-25	Unai Aseginolaza Tommaso Cea Raffaello Bianco Lorenzo Monacelli Matteo Calandra Aitor Bergara Francesco Mauri Ion Errea
+ PDF Ask	Weak Dimensionality Dependence of the Charge Density Wave Transition in NbSe$_2$	2020-04-17	Raffaello Bianco Lorenzo Monacelli Matteo Calandra Francesco Mauri Ion Errea
+ PDF Ask	Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride	2020-02-05	Ion Errea Francesco Belli Lorenzo Monacelli Antonio Sanna Takashi Koretsune Terumasa Tadano Raffaello Bianco Matteo Calandra Ryotaro Arita Francesco Mauri
+ PDF Ask	Theory of the thickness dependence of the charge density wave transition in 1T-TiTe$_2$	2020-01-01	Jianqiang Sky Zhou Raffaello Bianco Lorenzo Monacelli Ion Errea Francesco Mauri Matteo Calandra
+ PDF Ask	Bending rigidity, sound propagation and ripples in flat graphene	2020-01-01	Unai Aseginolaza Josu Diego Tommaso Cea Raffaello Bianco Lorenzo Monacelli Francesco Libbi Matteo Calandra Aitor Bergara Francesco Mauri Ion Errea
+ PDF Ask	Strong anharmonicity and high thermoelectric efficiency in high-temperature SnS from first principles	2019-12-16	Unai Aseginolaza Raffaello Bianco Lorenzo Monacelli Lorenzo Paulatto Matteo Calandra Francesco Mauri Aitor Bergara Ion Errea
+ PDF Ask	Quantum Crystal Structure in the 250 K Superconducting Lanthanum Hydride	2019-11-11	Ion Errea Francesco Belli Lorenzo Monacelli Antonio Sanna Takashi Koretsume Terumasa Tadano Raffaello Bianco Matteo Calandra Ryotaro Arita Francesco Mauri
+ PDF Ask	Quantum effects in muon spin spectroscopy within the stochastic self-consistent harmonic approximation	2019-07-19	Ifeanyi John Onuorah Pietro Bonfà R. De Renzi Lorenzo Monacelli Francesco Mauri Matteo Calandra Ion Errea
+ PDF Ask	Quantum Enhancement of Charge Density Wave in NbS<sub>2</sub> in the Two-Dimensional Limit	2019-04-01	Raffaello Bianco Ion Errea Lorenzo Monacelli Matteo Calandra Francesco Mauri
+ PDF Ask	Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe	2019-02-22	Unai Aseginolaza Raffaello Bianco Lorenzo Monacelli Lorenzo Paulatto Matteo Calandra Francesco Mauri Aitor Bergara Ion Errea
+ PDF Ask	Anharmonic melting of the charge density wave in single-layer TiSe2	2019-01-01	Jianqiang Sky Zhou Lorenzo Monacelli Raffaello Bianco Ion Errea Francesco Mauri Matteo Calandra
+ PDF Ask	Black metal hydrogen above 360 GPa driven by proton quantum fluctuations	2019-01-01	Lorenzo Monacelli Ion Errea Matteo Calandra Francesco Mauri

Common Coauthors

Coauthor	Papers Together
Francesco Mauri	34
Matteo Calandra	21
Ion Errea	21
Raffaello Bianco	17
Nicola Marzari	7
Antonio Siciliano	6
Aitor Bergara	5
Marco Cherubini	5
Michele Casula	4
Unai Aseginolaza	4
R. De Renzi	3
Francesco Libbi	3
Josu Diego	3
Pietro Bonfà	3
Mattia Miotto	3
Jianqiang Sky Zhou	3
Ifeanyi John Onuorah	3
Ayman Said	2
Roberto Car	2
Kai Roßnagel	2
Richard Gaál	2
Lorenzo Paulatto	2
Giovanni Pizzi	2
Michael Marek Koza	2
Umbertoluca Ranieri	2
Sandro Sorella	2
Giovanni Garberoglio	2
Anders Johansson	2
Maria Rescigno	2
Chennan Wang	2
Nicola M. Pugno	2
Tommaso Cea	2
Xiao Sun	2
O. Petracic	2
Simone Taioli	2
Antonio Sanna	2
Franz Lang	2
Kousuke Nakano	2
Bingjia Yang	2
Giovanni Caldarelli	2
Francesco Belli	2
Cristiano De Michele	2
Paolo E. Trevisanutto	2
Stefan Klotz	2
Andrea Pedrielli	2
L. E. Bove	2
Boris Kozinsky	2
Stephen J. Blundell	2
Terumasa Tadano	2
Simone Di Cataldo	2

Commonly Cited References

Action	Title	Date	Authors	# of times referenced
+ PDF Ask	Second-order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: Theory and stochastic implementation	2017-07-18	Raffaello Bianco Ion Errea Lorenzo Paulatto Matteo Calandra Francesco Mauri	20
+ PDF Ask	Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides	2014-02-10	Ion Errea Matteo Calandra Francesco Mauri	20
+ PDF Ask	Pressure and stress tensor of complex anharmonic crystals within the stochastic self-consistent harmonic approximation	2018-07-26	Lorenzo Monacelli Ion Errea Matteo Calandra Francesco Mauri	18
+ PDF Ask	QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials	2009-09-01	Paolo Giannozzi Stefano Baroni Nicola Bonini Matteo Calandra Roberto Car Carlo Cavazzoni Davide Ceresoli G. Chiarotti Matteo Cococcioni Ismaïla Dabo	16
+ PDF Ask	High-pressure phase diagram of hydrogen and deuterium sulfides from first principles: Structural and vibrational properties including quantum and anharmonic effects	2018-06-08	Raffaello Bianco Ion Errea Matteo Calandra Francesco Mauri	10
+ PDF Ask	Advanced capabilities for materials modelling with Quantum ESPRESSO	2017-09-27	Paolo Giannozzi Oliviero Andreussi Thomas Brumme O. Bunău Marco Buongiorno Nardelli Matteo Calandra Roberto Car Carlo Cavazzoni Davide Ceresoli Matteo Cococcioni	10
+ PDF Ask	Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system	2016-03-24	Ion Errea Matteo Calandra Chris J. Pickard J. Nelson R. J. Needs Yinwei Li Hanyu Liu Yunwei Zhang Yanming Ma Francesco Mauri	9
+ PDF Ask	Phonons and related crystal properties from density-functional perturbation theory	2001-07-06	Stefano Baroni Stefano de Gironcoli Andrea Dal Corso Paolo Giannozzi	8
+ PDF Ask	Strong anharmonicity induces quantum melting of charge density wave in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mn>2</mml:mn><mml:mi>H</mml:mi><mml:mo>−</mml:mo><mml:msub><mml:mi>NbSe</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>under pressure	2015-10-21	Maxime Leroux Ion Errea M. Le Tacon S. M. Souliou Gastón Garbarino Laurent Cario Alexey Bosak Francesco Mauri Matteo Calandra P. Rodière	8
+ PDF Ask	Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride	2020-02-05	Ion Errea Francesco Belli Lorenzo Monacelli Antonio Sanna Takashi Koretsune Terumasa Tadano Raffaello Bianco Matteo Calandra Ryotaro Arita Francesco Mauri	8
+ PDF Ask	Time-dependent self-consistent harmonic approximation: Anharmonic nuclear quantum dynamics and time correlation functions	2021-03-23	Lorenzo Monacelli Francesco Mauri	7
+ PDF Ask	The stochastic self-consistent harmonic approximation: calculating vibrational properties of materials with full quantum and anharmonic effects	2021-05-28	Lorenzo Monacelli Raffaello Bianco Marco Cherubini Matteo Calandra Ion Errea Francesco Mauri	6
+ PDF Ask	Black metal hydrogen above 360 GPa driven by proton quantum fluctuations	2020-09-07	Lorenzo Monacelli Ion Errea Matteo Calandra Francesco Mauri	6
+ PDF Ask	Quantum Enhancement of Charge Density Wave in NbS<sub>2</sub> in the Two-Dimensional Limit	2019-04-01	Raffaello Bianco Ion Errea Lorenzo Monacelli Matteo Calandra Francesco Mauri	6
+ PDF Ask	Strong anharmonicity in the phonon spectra of PbTe and SnTe from first principles	2018-01-10	Guilherme A. S. Ribeiro Lorenzo Paulatto Raffaello Bianco Ion Errea Francesco Mauri Matteo Calandra	6
+ PDF Ask	Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe	2019-02-22	Unai Aseginolaza Raffaello Bianco Lorenzo Monacelli Lorenzo Paulatto Matteo Calandra Francesco Mauri Aitor Bergara Ion Errea	6
+ PDF Ask	High-Pressure Hydrogen Sulfide from First Principles: A Strongly Anharmonic Phonon-Mediated Superconductor	2015-04-16	Ion Errea Matteo Calandra Chris J. Pickard J. Nelson R. J. Needs Yinwei Li Hanyu Liu Yunwei Zhang Yanming Ma Francesco Mauri	5
+ PDF Ask	Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system	2015-08-17	А. П. Дроздов M. I. Eremets I. A. Troyan Vadim Ksenofontov Sergii I. Shylin	4
+ PDF Ask	Extended Phonon Collapse and the Origin of the Charge-Density Wave in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>2</mml:mn><mml:mi>H</mml:mi><mml:mtext mathvariant="normal">−</mml:mtext><mml:msub><mml:mi>NbSe</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>	2011-09-01	F. Weber Stephan Rosenkranz J. P. Castellan R. Osborn R. Hott R. Heid K.-P. Bohnen T. Egami Ayman Said D. Reznik	4
+ PDF Ask	Gaussian time-dependent variational principle for the finite-temperature anharmonic lattice dynamics	2021-07-23	Jae-Mo Lihm Cheol-Hwan Park	4
+ PDF Ask	Superconductivity at 250 K in lanthanum hydride under high pressures	2019-05-22	А. П. Дроздов P. P. Kong Vasily S. Minkov S. P. Besedin Mikhail A. Kuzovnikov Shirin Mozaffari Luis Balicas Fedor Balakirev David Graf Vitali B. Prakapenka	4
+ PDF Ask	Strong anharmonicity and high thermoelectric efficiency in high-temperature SnS from first principles	2019-12-16	Unai Aseginolaza Raffaello Bianco Lorenzo Monacelli Lorenzo Paulatto Matteo Calandra Francesco Mauri Aitor Bergara Ion Errea	4
+ PDF Ask	First-Principles Theory of Anharmonicity and the Inverse Isotope Effect in Superconducting Palladium-Hydride Compounds	2013-10-25	Ion Errea Matteo Calandra Francesco Mauri	4
+ PDF Ask	First-principles calculations of phonon frequencies, lifetimes, and spectral functions from weak to strong anharmonicity: The example of palladium hydrides	2015-02-19	Lorenzo Paulatto Ion Errea Matteo Calandra Francesco Mauri	4
+ PDF Ask	Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures	2015-07-28	N. D. Drummond Bartomeu Monserrat Jonathan H. Lloyd-Williams Pablo López Ríos Chris J. Pickard R. J. Needs	4
+ PDF Ask	Lattice dynamics of anharmonic solids from first principles	2011-11-14	Olle Hellman Igor A. Abrikosov S. I. Simak	4
+ PDF Ask	Evidence for Superconductivity above 260 K in Lanthanum Superhydride at Megabar Pressures	2019-01-14	Maddury Somayazulu Muhtar Ahart A.K. Mishra Zachary M. Geballe Maria Baldini Yue Meng Viktor V. Struzhkin Russell J. Hemley	4
+ PDF Ask	Self-consistent phonon calculations of lattice dynamical properties in cubic<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>SrTiO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>with first-principles anharmonic force constants	2015-08-03	Terumasa Tadano Shinji Tsuneyuki	4
+ PDF Ask	Electron-Phonon Coupling and the Soft Phonon Mode in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>TiSe</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>	2011-12-20	F. Weber Stephan Rosenkranz J. P. Castellan R. Osborn G. Karapetrov R. Hott R. Heid K.-P. Bohnen Ahmet Alatas	4
+ PDF Ask	Characterization of collective ground states in single-layer NbSe2	2015-11-02	Miguel M. Ugeda Aaron J. Bradley Yi Zhang Seita Onishi Yi Chen Wei Ruan Claudia Ojeda‐Aristizabal Hyejin Ryu Mark T. Edmonds Hsin‐Zon Tsai	3
+ PDF Ask	The microscopic origin of the anomalous isotopic properties of ice relies on the strong quantum anharmonic regime of atomic vibration	2021-10-21	Marco Cherubini Lorenzo Monacelli Francesco Mauri	3
+ PDF Ask	Giant anharmonic phonon scattering in PbTe	2011-06-05	Olivier Delaire Jie Ma Karol Marty Andrew F. May Michael A. McGuire Mao‐Hua Du David J. Singh A. Podlesnyak G. Ehlers M. D. Lumsden	3
+ PDF Ask	Quantum effects in muon spin spectroscopy within the stochastic self-consistent harmonic approximation	2019-07-19	Ifeanyi John Onuorah Pietro Bonfà R. De Renzi Lorenzo Monacelli Francesco Mauri Matteo Calandra Ion Errea	3
+ PDF Ask	Toward the Computational Prediction of Muon Sites and Interaction Parameters	2016-07-01	Pietro Bonfà R. De Renzi	3
+ PDF Ask	Structure and Metallicity of Phase V of Hydrogen	2018-06-18	Bartomeu Monserrat N. D. Drummond Philip Dalladay‐Simpson Ross T. Howie Pablo López Ríos Eugene Gregoryanz Chris J. Pickard R. J. Needs	3
+ PDF Ask	Entropy evaluation sheds light on ecosystem complexity	2018-10-03	Mattia Miotto Lorenzo Monacelli	3
+ PDF Ask	Muon contact hyperfine field in metals: A DFT calculation	2018-05-15	Ifeanyi John Onuorah Pietro Bonfà R. De Renzi	3
+ PDF Ask	Weak Dimensionality Dependence and Dominant Role of Ionic Fluctuations in the Charge-Density-Wave Transition of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>NbSe</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>	2020-09-01	Raffaello Bianco Lorenzo Monacelli Matteo Calandra Francesco Mauri Ion Errea	3
+ PDF Ask	Observation of the Wigner-Huntington transition to metallic hydrogen	2017-01-27	Ranga Dias Isaac F. Silvera	3
+ PDF Ask	Effect of dimensionality on the charge-density wave in few-layer<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mn>2</mml:mn><mml:msub><mml:mrow><mml:mi>H</mml:mi><mml:mtext>-NbSe</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>	2009-12-23	Matteo Calandra I. I. Mazin Francesco Mauri	3
+ PDF Ask	Optimized norm-conserving Vanderbilt pseudopotentials	2013-08-19	D. R. Hamann	3
+ PDF Ask	Anharmonic effects in atomic hydrogen: Superconductivity and lattice dynamical stability	2016-05-17	Miguel Borinaga Ion Errea Matteo Calandra Francesco Mauri Aitor Bergara	3
+ PDF Ask	Charge-Density Wave and Superconducting Dome in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>TiSe</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>from Electron-Phonon Interaction	2011-05-13	Matteo Calandra Francesco Mauri	3
+ PDF Ask	Anharmonic suppression of charge density waves in 2<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>H</mml:mi></mml:mrow></mml:math>-NbS<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>	2012-10-12	Maxime Leroux M. Le Tacon Matteo Calandra Laurent Cario Marie-Aude Méasson P. Diener E. Borrissenko A. Bosak P. Rodière	3
+ PDF Ask	Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces	2008-04-04	John P. Perdew Adrienn Ruzsinszky Gábor I. Csonka Oleg A. Vydrov Gustavo E. Scuseria Lucian A. Constantin Xiaolan Zhou Kieron Burke	3
+ PDF Ask	Projector augmented-wave method	1994-12-15	Peter E. Blöchl	3
+ PDF Ask	Anharmonic properties from a generalized third-order<i>ab initio</i>approach: Theory and applications to graphite and graphene	2013-06-07	Lorenzo Paulatto Francesco Mauri Michele Lazzeri	3
+ PDF Ask	<i>Ab initio</i>theory of superconductivity. I. Density functional formalism and approximate functionals	2005-07-29	Martin Lüders Miguel A. L. Marques Nektarios N. Lathiotakis Andrea Floris G. Profeta Lars Fast A. Continenza S. Massidda E. K. U. Gross	2
+ PDF Ask	Pseudopotentials for high-throughput DFT calculations	2013-09-23	Kevin F. Garrity Joseph W. Bennett Karin M. Rabe David Vanderbilt	2
+ PDF Ask	Temperature-Dependent Classical Phonons from Efficient Nondynamical Simulations	2013-03-08	Mathias P. Ljungberg Jorge Íñiguez	2