基本情報
主な職歴
- 2011年09月01日, 2021年03月31日, 東京都立大学, 助教
学歴
- 東京大学, 工学部, 応用化学科, 日本, 1997年04月01日, 2001年03月31日
学位
- 博士(工学) (東京大学)
- 博士(工学) (東京大学)
研究キーワード
- 有効電場
- 相対論的量子化学
- 電子EDM
- 地球化学
- 重原子化学
- 同位体分別
- CP対称性破れ
- 相対論量子化学
所属学会
- 理論化学会
- 同位体科学会
- 日本物理学会
- 日本化学会
教育活動
授業担当
- 2022年, 修士課程・博士課程前期, 4ターム, 基礎化学特別演習B
- 2022年, 修士課程・博士課程前期, 年度, 基礎化学特別研究
- 2022年, 博士課程・博士課程後期, 年度, 基礎化学特別研究
- 2022年, 学部専門, 4ターム, 先端化学
- 2022年, 学部専門, セメスター(前期), 化学演習
- 2022年, 学部専門, 3ターム, 計算化学・同実習
- 2022年, 学部専門, セメスター(前期), 卒業研究
- 2022年, 学部専門, セメスター(後期), 卒業研究
- 2022年, 学部専門, セメスター(前期), 化学実験I
- 2022年, 学部専門, セメスター(後期), 化学実験II
- 2022年, 学部専門, 4ターム, 化学特別講義(ミクロな世界を解き明かす量子化学)
- 2022年, 修士課程・博士課程前期, 3ターム, 量子化学
- 2022年, 修士課程・博士課程前期, 1ターム, 基礎化学特別演習A
- 2022年, 修士課程・博士課程前期, 2ターム, 基礎化学特別演習A
- 2022年, 修士課程・博士課程前期, 3ターム, 基礎化学特別演習B
研究活動
学術論文(★は代表的な論文)
- Ab initio and steady-state models for uranium isotope fractionation in multi-step biotic and abiotic reduction, Geochimica et Cosmochimica Acta, 307巻, pp. 212-227, 20210815
- Density Functional Study on Compounds to Accelerate the Electron Capture Decay of 7Be, Journal of Physical Chemistry A, 125巻, 29号, pp. 6356-6361, 20210729
- Density Functional Study of Metal-to-Ligand Charge Transfer and Hole-Hopping in Ruthenium(II) Complexes with Alkyl-Substituted Bipyridine Ligands, ACS Omega, 6巻, 1号, pp. 55-64, 20210112
- Significance of non-linear terms in the relativistic coupled-cluster theory in the determination of molecular properties, Symmetry, 12巻, 5号, 20200501
- Relativistic coupled-cluster study of diatomic metal-alkali-metal molecules for electron electric dipole moment searches, Journal of Physics B: Atomic, Molecular and Optical Physics, 53巻, 1号, 20200101
- 13C and 207Pb NMR Chemical Shifts of Dirhodio- And Dilithioplumbole Complexes: A Quantum Chemical Assessment, Inorganic Chemistry, 58巻, 21号, pp. 14708-14719, 20191104
- Study of HgOH to Assess Its Suitability for Electron Electric Dipole Moment Searches, ATOMS, 9巻, 1号, 202103
- Density Functional Study of Metal-to-Ligand Charge Transfer and Hole-Hopping in Ruthenium(II) Complexes with Alkyl-Substituted Bipyridine Ligands, ACS OMEGA, 6巻, 1号, pp. 55-64, 202101
- Accurate determination of the enhancement factor X for the nuclear Schiff moment in (TlF)-Tl-205 molecule based on the four-component relativistic coupled-cluster theory, MOLECULAR PHYSICS, 118巻, 23号, 202012
- Significance of Non-Linear Terms in the Relativistic Coupled-Cluster Theory in the Determination of Molecular Properties, SYMMETRY-BASEL, 12巻, 5号, 202005
- Attainable accuracies of QH(+) rotational transition frequencies (Q: Ca-40, Mg-24, Hg-202), JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 53巻, 8号, 202004
- C-13 and Pb-207 NMR Chemical Shifts of Dirhodio- and Dilithioplumbole Complexes: A Quantum Chemical Assessment, INORGANIC CHEMISTRY, 58巻, 21号, pp. 14708-14719, 201911
- Inverted Sandwich Rh Complex Bearing a Plumbole Ligand and Its Catalytic Activity, ORGANOMETALLICS, 38巻, 16号, pp. 3099-3103, 201908
- Calculations of electronic properties and vibrational parameters of alkaline-earth lithides: MgLi+ and CaLi+, MOLECULAR PHYSICS, 117巻, 6号, pp. 712-725, 201903
- Factors influencing the photoelectrochemical device performance sensitized by ruthenium polypyridyl dyes, DALTON TRANSACTIONS, 48巻, 2号, pp. 688-695, 201901
- Ultracold mercury–alkali-metal molecules for electron-electric-dipole-moment searches, Physical Review A, 99巻, 4号, pp. 040501, 2019
- Accurate ab initio calculations of spectroscopic constants and properties of BeLi+, JOURNAL OF MOLECULAR SPECTROSCOPY, 349巻, pp. 1-9, 201807
- Application of the finite-field coupled-cluster method to calculate molecular properties relevant to electron electric-dipole-moment searches, Physical Review A, 97巻, 3号, 20180321
- Enhancement factors of parity- and time-reversal-violating effects for monofluorides, Physical Review A, 98巻, pp. 042511-(1-6), 2018
- Theoretical Study of Formulation of Hyperfine Coupling Constant in Four-component Relativistic Framework, JOURNAL OF COMPUTER CHEMISTRY-JAPAN, 16巻, 4号, pp. 81-82, 201710
- Theoretical analysis of effective electric fields in mercury monohalides, PHYSICAL REVIEW A, 95巻, 4号, 201704
- Analysis of large effective electric fields of weakly polar molecules for electron electric-dipole-moment searches, PHYSICAL REVIEW A, 95巻, 1号, 201701
- Mercury Monohalides: Suitability for Electron Electric Dipole Moment Searches (vol 114, 183001, 2015), PHYSICAL REVIEW LETTERS, 117巻, 10号, 201608
- Heavy Element Effects in the Diagonal Born-Oppenheimer Correction within a Relativistic Spin-Free Hamiltonian, JOURNAL OF PHYSICAL CHEMISTRY A, 120巻, 13号, pp. 2150-2159, 201604
- Relativistic coupled-cluster calculation of the electron-nucleus scalar-pseudoscalar interaction constant Ws in YbF, Physical Review A, 93巻, pp. 042507, 2016
- Mercury Monohalides: Suitability for Electron Electric Dipole Moment Searches, PHYSICAL REVIEW LETTERS, 114巻, 18号, 201505
- An Ab Initio Study of Nuclear Volume Effects for Isotope Fractionations Using Two-Component Relativistic Methods, JOURNAL OF COMPUTATIONAL CHEMISTRY, 36巻, 11号, pp. 816-820, 201504
- Contribution of Relativistic Quantum Chemistry to Electron's Electric Dipole Moment for CP Violation, INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2015 (ICCMSE 2015), 1702巻, 2015
- Permanent electric dipole moment of strontium monofluoride as a test of the accuracy of a relativistic coupled-cluster method, PHYSICAL REVIEW A, 90巻, 5号, 201411
- Application of relativistic coupled-cluster theory to the effective electric field in YbF, PHYSICAL REVIEW A, 90巻, 2号, pp. 022501, 201408
- Characterizing of variation in the proton-to-electron mass ratio via precise measurements of molecular vibrational transition frequencies, JOURNAL OF MOLECULAR SPECTROSCOPY, 300巻, pp. 99-107, 201406
- Dipole polarizability of alkali-metal (Na, K, Rb)-alkaline-earth-metal (Ca, Sr) polar molecules: Prospects for alignment, JOURNAL OF CHEMICAL PHYSICS, 140巻, 22号, pp. 224303, 201406
- Quantum-Chemical Analyses of Aromaticity, UV Spectra, and NMR Chemical Shifts in Plumbacyclopentadienylidenes Stabilized by Lewis Bases, JOURNAL OF COMPUTATIONAL CHEMISTRY, 35巻, 11号, pp. 847-853, 201404
- Test of m(p)/m(e) changes using vibrational transitions in N-2(+), PHYSICAL REVIEW A, 89巻, 3号, 201403
- Diagonal Born-Oppenheimer Correction Based on Spin-Free Relativistic Hamiltonian, J. Comp. Chem. Jpn., 13巻, 4号, pp. 229-232, 2014
- Theoretical Study of Isotope Enrichment Caused by Nuclear Volume Effect, J. Comp. Chem. Jpn, 13巻, pp. 92-104, 2014
- Synthesis, Structure, and Reactivity of Lewis Base Stabilized Plumbacyclopentadienylidenes, CHEMISTRY-A EUROPEAN JOURNAL, 19巻, 50号, pp. 16946-16953, 201312
- Copper isotope fractionation between aqueous compounds relevant to low temperature geochemistry and biology, GEOCHIMICA ET COSMOCHIMICA ACTA, 110巻, pp. 29-44, 201306
- Ab initio study of ground and excited states of (LiCa)-Li-6-Ca-40 and (LiSr)-Li-6-Sr-88 molecules, JOURNAL OF CHEMICAL PHYSICS, 138巻, 19号, 20130521
- Ab initio study of ground and excited states of (LiCa)-Li-6-Ca-40 and (LiSr)-Li-6-Sr-88 molecules, JOURNAL OF CHEMICAL PHYSICS, 138巻, 19号, pp. 194307, 201305
- Nuclear field shift effect in isotope fractionation of thallium, JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY, 296巻, 1号, pp. 261-265, 201304
- Sensitivity of vibrational spectroscopy of optically trapped SrLi and CaLi molecules to variations in m(p)/m(e), JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 46巻, 2号, 201301
- Frequency uncertainty estimation for the (CaH+)-Ca-40 vibrational transition frequencies observed by Raman excitation, JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 45巻, 18号, 201209
- Accuracy estimations of overtone vibrational transition frequencies of optically trapped (YbLi)-Yb-174-Li-6 molecules, PHYSICAL REVIEW A, 85巻, 6号, 201206
- Ab initio study on potential energy curves of electronic ground and excited states of (CaH+)-Ca-40 molecule, CHEMICAL PHYSICS LETTERS, 521巻, pp. 31-35, 201201
- Ab initio study of permanent electric dipole moment and radiative lifetimes of alkaline-earth-metal-Li molecules, PHYSICAL REVIEW A, 84巻, 6号, 201112
- Estimated accuracies of pure XH+ (X: even isotopes of group II atoms) vibrational transition frequencies: towards the test of the variance in m(p)/m(e) (vol 44, 025402, 2011), JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 44巻, 20号, 201110
- Magnetic-field effects in transitions of X Li molecules (X: even isotopes of group II atoms), PHYSICAL REVIEW A, 84巻, 4号, 201110
- Proposed detection of variation in m(p)/m(e) using a vibrational transition frequency of a CaH+ ion (vol 42, 154022, 2009), JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 44巻, 20号, 201110
- Elimination of the Stark shift from the vibrational transition frequency of optically trapped (YbLi)-Yb-174-Li-6 molecules, PHYSICAL REVIEW A, 84巻, 2号, 201108
- Isotope Fractionation of Palladium in Chemical Exchange Reaction, Proc. Radiochim. Acta, 1, 339-344, 2011
- Theoretical and experimental investigation of nickel isotopic fractionation in species relevant to modern and ancient oceans, GEOCHIMICA ET COSMOCHIMICA ACTA, 75巻, 2号, pp. 469-482, 201101
- Estimated accuracies of pure XH+ (X: even isotopes of group II atoms) vibrational transition frequencies: towards the test of the variance m(p)/m(e), JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 44巻, 2号, 201101
- Ab initio study on vibrational dipole moments of XH+ molecular ions: X=Mg-24, Ca-40, Zn-64, Sr-88, Cd-114, Ba-138, Yb-174 and Hg-202, JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 43巻, 24号, 201012
- Relativistic calculations of ground and excited states of LiYb molecule for ultracold photoassociation spectroscopy studies, JOURNAL OF CHEMICAL PHYSICS, 133巻, 12号, pp. 124317, 201009
- Ligand effect on uranium isotope fractionations caused by nuclear volume effects: An ab initio relativistic molecular orbital study, JOURNAL OF CHEMICAL PHYSICS, 133巻, 4号, pp. 044309, 201007
- An ab initio molecular orbital study of the nuclear volume effects in uranium isotope fractionations (vol 129, 164309, 2008), JOURNAL OF CHEMICAL PHYSICS, 132巻, 11号, 201003
- Experimental and Theoretical Investigation of Isotope Fractionation of Zinc between Aqua, Chloro, and Macrocyclic Complexes, JOURNAL OF PHYSICAL CHEMISTRY A, 114巻, 7号, pp. 2543-2552, 201002
- Mass-Dependent and Mass-Independent Isotope Effects of Zinc in a Redox Reaction, JOURNAL OF PHYSICAL CHEMISTRY A, 113巻, 44号, pp. 12225-12232, 200911
- An ab initio molecular orbital study of the nuclear volume effects in uranium isotope fractionations, JOURNAL OF CHEMICAL PHYSICS, 129巻, 16号, pp. 164309, 200810
- An ab initio study based on a finite nucleus model for isotope fractionation in the U(III)-U(IV) exchange reaction system, JOURNAL OF CHEMICAL PHYSICS, 128巻, 14号, 200804
- The relativistic complete active-space second-order perturbation theory with the four-component Dirac Hamiltonian, JOURNAL OF CHEMICAL PHYSICS, 125巻, 23号, 200612
- Electronic structures of PtCu, PtAg, and PtAu molecules: a Dirac four-component relativistic study, CHEMICAL PHYSICS, 311巻, 1-2号, pp. 129-137, 200504
- A four-index transformation in Dirac's four-component relativistic theory, CHEMICAL PHYSICS LETTERS, 388巻, 1-3号, pp. 68-73, 200404
- A theoretical study of the low-lying states of the AuSi molecule: An assignment of the excited A and D states, JOURNAL OF CHEMICAL PHYSICS, 117巻, 17号, pp. 7960-7967, 200211
- Accurate relativistic Gaussian basis sets for H through Lr determined by atomic self-consistent field calculations with the third-order Douglas-Kroll approximation, JOURNAL OF CHEMICAL PHYSICS, 115巻, 10号, pp. 4463-4472, 200109
外部資金
競争的資金等の採択状況
- 科学研究費助成事業 基盤研究(B), アクチノイド化合物のための相対論的電子相関法の開発, 2021年04月01日, 2024年03月31日
- 科学研究費助成事業 基盤研究(B), レーザー光会合による冷却分子EDM探索, 2020年04月01日, 2023年03月31日
- 科学研究費助成事業 挑戦的研究(萌芽), 核シッフモーメントの電子遮蔽効果:相対論的量子化学計算による高精度予測, 2019年06月28日, 2021年03月31日
- 科学研究費助成事業 基盤研究(C), バクテリアによるウラン同位体分別の理論的解明, 2018年04月01日, 2021年03月31日
- 科学研究費助成事業 基盤研究(B), 電子EDM探索のための冷却分子の研究, 2017年04月01日, 2020年03月31日
- 科学研究費助成事業 基盤研究(B), 高次相対論項とQED補正を含んだ電子相関理論に基づく電磁気分子物性の高精度計算, 2017年04月01日, 2020年03月31日
- 科学研究費助成事業 基盤研究(B), ハイブリッド光トラップにおける極低温アルカリ原子とSr原子混合系の研究, 2013年04月01日, 2017年03月31日
- 科学研究費助成事業 挑戦的萌芽研究, 1000テスラー級の磁場下における分子物性の量子化学的研究, 2014年04月01日, 2016年03月31日
- 科学研究費助成事業 若手研究(B), 電子の電気双極子モーメント探査にむけた高精度相対論的分子理論の開発, 2013年04月01日, 2016年03月31日
- 科学研究費助成事業 特別研究員奨励費, 相対論Dirac法で探る物理化学現象―PT対称性の破れ・同位体効果・希土類発光, 2009年, 2011年
- 科学研究費助成事業 特別研究員奨励費, 重原子系化学の分光学的精度を目指した相対論的分子理論の開発, 2007年, 2008年
- 科学研究費助成事業 特別研究員奨励費, 高精度な相対論的分子理論の開発, 2003年, 2006年