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Anthony Scemama

laboratoire de chimie et physique quantiques (lcpq)

27H指数
165论文数
3.0K被引数
收录论文 58
发表时间
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Doubly ionised 2; 4-imidazolidinedione (hydantoin) dissociations induced by electron collision; fragmentation thresholds vs. vertical excitation energies双电离的2,4-咪唑烷二酮（海因）电子碰撞诱导的解离；碎片化阈值与垂直激发能的比较
errPhys. Chem. Chem. Phys.
IF2.9
err2025-10-01
err0
errOAAI
errP. Moretto-Capelle; A. Scemama; S. Faure; E. Dudás; P. Cafarelli; J.-P. Champeaux
err分享
err收藏
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
Improved modularity and new features in ipie: Toward even larger AFQMC calculations on CPUs and GPUs at zero and finite temperatures
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-10-25
err1
PREAI
errJiang, Tong; Baumgarten, Moritz K. A.; Loos, Pierre-Francois; Mahajan, Ankit; Scemama, Anthony; Ung, Shu Fay; Zhang, Jinghong; Malone, Fionn D.; Lee, Joonho
err分享
err收藏
Compactification of determinant expansions via transcorrelation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-22
err2
errOAAI
errAmmar, Abdallah; Scemama, Anthony; Loos, Pierre-Francois; Giner, Emmanuel
err分享
err收藏
Stochastically accelerated perturbative triples correction in coupled cluster calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-15
err0
errOAAI
errDamour, Yann; Gallo, Alejandro; Scemama, Anthony
err分享
err收藏
Exploring the role of mean-field potentials and short-range wave function behavior in the adiabatic connection
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-05-15
err2
errOAAI
errScemama, Anthony; Savin, Andreas
err分享
err收藏
State-Specific Coupled-Cluster Methods for Excited States
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-15
err8
errOAAI
errDamour, Yann; Scemama, Anthony; Jacquemin, Denis; Kossoski, Fabris; Loos, Pierre-Francois
err分享
err收藏
Transcorrelated selected configuration interaction in a bi-orthonormal basis and with a cheap three-body correlation factor
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-09-21
err4
errOAAI
errAmmar, Abdallah; Scemama, Anthony; Giner, Emmanuel
err分享
err收藏
Biorthonormal Orbital Optimization with a Cheap Core-Electron-Free Three-Body Correlation Factor for Quantum Monte Carlo and Transcorrelation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-06-30
err8
errOAAI
errAmmar, Abdallah; Scemama, Anthony; Giner, Emmanuel
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
Diffusion Monte Carlo using domains in configuration space
errPHYSICAL REVIEW B
IF3.7
err2023-01-18
err0
errOAAI
errAssaraf, Roland; Giner, Emmanuel; Chilkuri, Vijay Gopal; Loos, Pierre-Francois; Scemama, Anthony; Caffarel, Michel
err分享
err收藏
Ground- and Excited-State Dipole Moments and Oscillator Strengths of Full Configuration Interaction Quality
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-12-22
err16
errOAAI
errDamour, Yann; Loos, Pierre-Francois; Quintero-Monsebaiz, Rau'l; Caffarel, Michel; Jacquemin, Denis; Kossoski, Fabris; 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
Extension of selected configuration interaction for transcorrelated methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-10-07
err15
errOAAI
errAmmar, Abdallah; Scemama, Anthony; Giner, Emmanuel
err分享
err收藏
Optimization of Large Determinant Expansions in Quantum Monte Carlo
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-08-23
err11
errOAAI
errAmmar, Abdallah; Giner, Emmanuel; Scemama, Anthony
err分享
err收藏
The effect of uncertainty on building blocks in molecules
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-06-15
err1
errOAAI
errScemama, Anthony; Savin, Andreas
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
Accurate full configuration interaction correlation energy estimates for five- and six-membered rings
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-10-01
err16
errOAAI
errDamour, Yann; Veril, Mickael; Kossoski, Fabris; Caffarel, Michel; Jacquemin, Denis; Scemama, Anthony; Loos, Pierre-Francois
err分享
err收藏
Excited States from State-Specific Orbital-Optimized Pair Coupled Cluster
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-07-26
err42
errOAAI
errKossoski, Fabris; Marie, Antoine; Scemama, Anthony; Caffarel, Michel; Loos, Pierre-Francois
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

研究方向

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