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C

Claudia Filippi

Mesa+ Institute for Nanotechnology

37H指数
120论文数
5.0K被引数
收录论文 46
发表时间
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Shifting sands of hardware and software in exascale quantum mechanical simulations超大规模量子力学模拟中硬件与软件的变迁
errNATURE REVIEWS PHYSICS
IF39.5
err2025-04-25
err0
PREAI
errRavindra Shinde; Claudia Filippi; Anthony Scemama; William Jalby
err分享
err收藏
Accurate Quantum Monte Carlo Forces for Machine-Learned Force Fields: Ethanol as a Benchmark
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-07-14
err3
errOAAI
errSlootman, E.; Poltavsky, I.; Shinde, R.; Cocomello, J.; Moroni, S.; Tkatchenko, A.; Filippi, C.
err分享
err收藏
TREXIO: A file format and library for quantum chemistry
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-05-05
err15
errOAAI
errPosenitskiy, Evgeny; Chilkuri, Vijay Gopal; Ammar, Abdallah; Hapka, Michal; Pernal, Katarzyna; Shinde, Ravindra; Borda, Edgar Josue Landinez; Filippi, Claudia; Nakano, Kosuke; Kohulak, Otto; Sorella, Sandro; Castro, Pablo de Oliveira; Jalby, William; Rios, Pablo Lopez; Alavi, Ali; Scemama, Anthony
err分享
err收藏
Double Excitation Energies from Quantum Monte Carlo Using State- Specific Energy Optimization
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-10-31
err10
errOAAI
errShepard, Stuart; Panades-Barrueta, Ramon L.; Moroni, Saverio; Scemama, Anthony; Filippi, Claudia
err分享
err收藏
Reference Excitation Energies of Increasingly Large Molecules: A QMC Study of Cyanine Dyes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-01-26
err10
errOAAI
errCuzzocrea, Alice; Moroni, Saverio; Scemama, Anthony; Filippi, Claudia
err分享
err收藏
Energy Derivatives in Real-Space Diffusion Monte Carlo
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-12-20
err15
errOAAI
errvan Rhijn, Jesse; Filippi, Claudia; De Palo, Stefania; Moroni, Saverio
err分享
err收藏
Tailoring CIPSI Expansions for QMC Calculations of Electronic Excitations: The Case Study of Thiophene
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-05-24
err24
errOAAI
errDash, Monika; Moroni, Saverio; Filippi, Claudia; Scemama, Anthony
err分享
err收藏
Variational Principles in Quantum Monte Carlo: The Troubled Story of Variance Minimization
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-05-17
err29
errOAAI
errCuzzocrea, Alice; Scemama, Anthony; Briels, Wim J.; Moroni, Saverio; Filippi, Claudia
err分享
err收藏
Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-07-26
err44
errOAAI
errDash, Monika; Feldt, Jonas; Moroni, Saverio; Scemama, Anthony; Filippi, Claudia
err分享
err收藏
Taming the Complexity of Donor-Acceptor Stenhouse Adducts: Infrared Motion Pictures of the Complete Switching Pathway
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2019-04-10
err73
errOAAI
errZulfikri, Habiburrahman; Koenis, Mark A. J.; Lerch, Michael M.; Di Donato, Mariangela; Szymanski, Wiktor; Filippi, Claudia; Feringa, Ben L.; Buma, Wybren Jan
err分享
err收藏
Photoprogramming Allostery in Human Serum Albumin
errBIOCONJUGATE CHEMISTRY
IF3.9
err2018-07-05
err5
errOAAI
errPutri, Rindia M.; Zulfikri, Habiburrahman; Fredy, Jean Wilfried; Juan, Alberto; Tananchayakul, Pichayut; Cornelissen, Jeroen J. L. M.; Koay, Melissa S. T.; Filippi, Claudia; Katsonis, Nathalie
err分享
err收藏
Perturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-06-28
err52
errOAAI
errDash, Monika; Moroni, Saverio; Scemama, Anthony; Filippi, Claudia
err分享
err收藏
Optimizing the Energy with Quantum Monte Carlo: A Lower Numerical Scaling for Jastrow-Slater Expansions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-10-05
err46
errOAAI
errAssaraf, Roland; Moroni, S.; Filippi, Claudia
err分享
err收藏
Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-03-22
err26
errOAAI
errGuareschi, Riccardo; Zulfikri, Habiburrahman; Daday, Csaba; Floris, Franca Maria; Amovilli, Claudio; Mennucci, Benedetta; Filippi, Claudia
err分享
err收藏
Multiple-Resonance Local Wave Functions for Accurate Excited States in Quantum Monte Carlo
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-02-03
err10
errOAAI
errZulfikri, Habiburrahman; Amovilli, Claudio; Filippi, Claudia
err分享
err收藏
Chromophore-Protein Coupling beyond Nonpolarizable Models: Understanding Absorption in Green Fluorescent Protein
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-09-16
err65
errOAAI
errDaday, Csaba; Curutchet, Caries; Sinicropi, Adalgisa; Mennucci, Benedetta; Filippi, Claudia
err分享
err收藏
Solvent Effects on Excited-State Structures: A Quantum Monte Carlo and Density Functional Study
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-11-07
err11
errOAAI
errGuareschi, Riccardo; Floris, Franca Maria; Amovilli, Claudio; Filippi, Claudia
err分享
err收藏
Practical Schemes for Accurate Forces in Quantum Monte Carlo
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-10-08
err28
PREAI
errMoroni, S.; Saccani, S.; Filippi, C.
err分享
err收藏
Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-01-21
err13
PREAI
errFloris, Franca Maria; Filippi, Claudia; Amovilli, Claudio
err分享
err收藏
Ground- and Excited-State Geometry Optimization of Small Organic Molecules with Quantum Monte Carlo
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-11-22
err54
errOAAI
errGuareschi, Riccardo; Filippi, Claudia
err分享
err收藏

研究方向

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