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Y

Yorick L. A. Schmerwitz

University of Iceland

8H指数
37论文数
371被引数
收录论文 9
发表时间
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Orbital Optimization and Neural-Network-Assisted Configuration Interaction Calculations of Rydberg States轨道优化和神经网络辅助的里德伯态组态相互作用计算
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-01
err0
PREAI
errLevi, Gianluca; Kroesbergen, Max; Thirion, Louis; Schmerwitz, Yorick L. A.; Jonsson, Elvar O.; Bilous, Pavlo; Hansmann, Philipp; Jonsson, Hannes
err分享
err收藏
Fine Tuning of the Rotational Speed of Light-Driven, Second-Generation Molecular Motors by Fluorine Substitution通过氟取代对光驱动第二代分子电机的转速进行微调
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-04-14
err0
PREAI
errTambovtsev, Ivan; Schmerwitz, Yorick L. A.; Darmoroz, Darina D.; Nesterov, Pavel V.; Orlova, Tetiana; Jonsson, Hannes
err分享
err收藏
Neural-Network-Based Selective Configuration Interaction Approach to Molecular Electronic Structure
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-27
err0
errOAAI
errSchmerwitz, Yorick L. A.; Thirion, Louis; Levi, Gianluca; Jonsson, Elvar O.; Bilous, Pavlo; Jonsson, Hannes; Hansmann, Philipp
err分享
err收藏
Orbital-Optimized Versus Time-Dependent Density Functional Calculations of Intramolecular Charge Transfer Excited States (vol 20, pg 3809,2024)分子内电荷转移激发态的轨道优化与时间相关的密度泛函计算 (vol 20，pg 3809，2024)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-06
err0
PREAI
errSelenius, Elli; Sigurdarson, Alec Elias; Schmerwitz, Yorick L. A.; Levi, Gianluca
err分享
err收藏
Orbital-Optimized Versus Time-Dependent Density Functional Calculations of Intramolecular Charge Transfer Excited States分子内电荷转移激发态的轨道优化与时间相关的密度泛函计算
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-02
err4
errOAAI
errSelenius, Elli; Sigurdarson, Alec Elias; Schmerwitz, Yorick L. A.; Levi, Gianluca
err分享
err收藏
GPAW: An open Python package for electronic structure calculationsGPAW: 一个用于电子结构计算的开放Python包
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-07
err58
errOAAI
errMortensen, Jens Jorgen; Larsen, Ask Hjorth; Kuisma, Mikael; Ivanov, Aleksei V.; Taghizadeh, Alireza; Peterson, Andrew; Haldar, Anubhab; Dohn, Asmus Ougaard; Schafer, Christian; Jonsson, Elvar Orn; Hermes, Eric D.; Nilsson, Fredrik Andreas; Kastlunger, Georg; Levi, Gianluca; Jonsson, Hannes; Hakkinen, Hannu; Fojt, Jakub; Kangsabanik, Jiban; Sodequist, Joachim; Lehtomaki, Jouko; Heske, Julian; Enkovaara, Jussi; Winther, Kirsten Trostrup; Dulak, Marcin; Melander, Marko M.; Ovesen, Martin; Louhivuori, Martti; Walter, Michael; Gjerding, Morten; Lopez-Acevedo, Olga; Erhart, Paul; Warmbier, Robert; Wuerdemann, Rolf; Kaappa, Sami; Latini, Simone; Boland, Tara Maria; Bligaard, Thomas; Skovhus, Thorbjorn; Susi, Toma; Maxson, Tristan; Rossi, Tuomas; Chen, Xi; Schmerwitz, Yorick Leonard A.; Schiotz, Jakob; Olsen, Thomas; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer
err分享
err收藏
Improved Initialization of Optimal Path Calculations Using Sequential Traversal over the Image-Dependent Pair Potential Surface
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-12-28
err1
errOAAI
errSchmerwitz, Yorick L. A.; Asgeirsson, Vilhjalmur; Jonsson, Hannes
err分享
err收藏
Orbital-optimized density functional calculations of molecular Rydberg excited states with real space grid representation and self-interaction correction具有真实空间网格表示和自相互作用校正的分子Rydberg激发态的轨道优化密度泛函计算
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-12-04
err5
errOAAI
errSigurdarson, Alec E.; Schmerwitz, Yorick L. A.; Tveiten, Dagrun K. V.; Levi, Gianluca; Jonsson, Hannes
err分享
err收藏
Calculations of Excited Electronic States by Converging on Saddle Points Using Generalized Mode Following通过使用广义模式跟随在鞍点上收敛来计算激发电子态
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-06-07
err12
errOAAI
errSchmerwitz, Yorick L. A.; Levi, Gianluca; Jonsson, Hannes
err分享
err收藏

研究方向

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合作学者
合作期刊
H
Hannu Häkkinen
H 指数: 88 · 论文数: 526
K
Karsten W. Jacobsen
H 指数: 86 · 论文数: 331
K
Kristian S. Thygesen
H 指数: 79 · 论文数: 356
T
Thomas Bligaard
H 指数: 74 · 论文数: 195
H
Hannes Jónsson
H 指数: 65 · 论文数: 400
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